[(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C141H216N4O35S10 — CID 167694559

IUPAC[(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESC.CC[C@]1(C)OC2C(O1)[C@H](OC1C(C)C(NC(=O)CCCCCNC(=O)OC(C)(C)C)[C@H](COCc3ccccc3)O[C@H]1OC(=O)C13CCC(C)(C)CC1C1=CCC4C5(C)CC[C@H](C)[C@](C)(C=O)[C@@H]5CC[C@]4(C)[C@]1(C)C[C@@H]3C)O[C@H](C)C2O[C@@H]1OCC(OCc2ccccc2)C(OCc2ccccc2)C1C.C[C@H]1O[C@@H](OC2C(O)C(NC(=O)CCCCCN)[C@H](CO)O[C@H]2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@]4(C)[C@]2(C)C[C@@H]3OO)C(O)C(O)C1O[C@@H]1OCC(O)C(O)C1O.S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C87H126N2O16.C53H86N2O19.CH4.S10/c1-17-86(16)103-73-72(101-75-57(5)70(96-50-61-34-26-20-27-35-61)65(52-97-75)95-49-60-32-24-19-25-33-60)58(6)98-77(74(73)104-86)100-71-56(4)69(89-68(91)36-28-21-29-45-88-79(93)105-80(7,8)9)64(51-94-48-59-30-22-18-23-31-59)99-76(71)102-78(92)87-44-43-81(10,11)47-63(87)62-37-38-67-82(12)41-39-54(2)83(13,53-90)66(82)40-42-84(67,14)85(62,15)46-55(87)3;1-26-42(71-44-40(64)37(61)29(58)24-68-44)39(63)41(65)45(69-26)72-43-38(62)36(55-35(60)11-9-8-10-20-54)30(23-56)70-46(43)73-47(66)53-19-18-48(2,3)21-28(53)27-12-13-32-49(4)16-15-33(59)50(5,25-57)31(49)14-17-51(32,6)52(27,7)22-34(53)74-67;;1-3-5-7-9-10-8-6-4-2/h18-20,22-27,30-35,37,53-58,63-67,69-77H,17,21,28-29,36,38-52H2,1-16H3,(H,88,93)(H,89,91);12,25-26,28-34,36-46,56,58-59,61-65,67H,8-11,13-24,54H2,1-7H3,(H,55,60);1H4;/t54-,55-,56?,57?,58+,63?,64-,65?,66+,67?,69?,70?,71?,72?,73?,74?,75-,76-,77-,82?,83-,84-,85+,86+,87?;26-,28?,29?,30+,31-,32?,33+,34+,36?,37?,38?,39?,40?,41?,42?,43?,44+,45+,46+,49?,50-,51+,52-,53?;;/m01../s1
InChIKeyXLOBSHMEXIVAAG-NBNUBFEPSA-N
MW2847.94 g/mol
LogP17.84
Rot. Bonds40

About [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

[(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 167694559) has the molecular formula C141H216N4O35S10 and a molecular weight of 2847.94 g/mol. Its IUPAC name is [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Name[(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID167694559
Molecular FormulaC141H216N4O35S10
Molecular Weight2847.94 g/mol
Exact Mass2845.25
IUPAC Name[(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESC.CC[C@]1(C)OC2C(O1)[C@H](OC1C(C)C(NC(=O)CCCCCNC(=O)OC(C)(C)C)[C@H](COCc3ccccc3)O[C@H]1OC(=O)C13CCC(C)(C)CC1C1=CCC4C5(C)CC[C@H](C)[C@](C)(C=O)[C@@H]5CC[C@]4(C)[C@]1(C)C[C@@H]3C)O[C@H](C)C2O[C@@H]1OCC(OCc2ccccc2)C(OCc2ccccc2)C1C.C[C@H]1O[C@@H](OC2C(O)C(NC(=O)CCCCCN)[C@H](CO)O[C@H]2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@]4(C)[C@]2(C)C[C@@H]3OO)C(O)C(O)C1O[C@@H]1OCC(O)C(O)C1O.S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C87H126N2O16.C53H86N2O19.CH4.S10/c1-17-86(16)103-73-72(101-75-57(5)70(96-50-61-34-26-20-27-35-61)65(52-97-75)95-49-60-32-24-19-25-33-60)58(6)98-77(74(73)104-86)100-71-56(4)69(89-68(91)36-28-21-29-45-88-79(93)105-80(7,8)9)64(51-94-48-59-30-22-18-23-31-59)99-76(71)102-78(92)87-44-43-81(10,11)47-63(87)62-37-38-67-82(12)41-39-54(2)83(13,53-90)66(82)40-42-84(67,14)85(62,15)46-55(87)3;1-26-42(71-44-40(64)37(61)29(58)24-68-44)39(63)41(65)45(69-26)72-43-38(62)36(55-35(60)11-9-8-10-20-54)30(23-56)70-46(43)73-47(66)53-19-18-48(2,3)21-28(53)27-12-13-32-49(4)16-15-33(59)50(5,25-57)31(49)14-17-51(32,6)52(27,7)22-34(53)74-67;;1-3-5-7-9-10-8-6-4-2/h18-20,22-27,30-35,37,53-58,63-67,69-77H,17,21,28-29,36,38-52H2,1-16H3,(H,88,93)(H,89,91);12,25-26,28-34,36-46,56,58-59,61-65,67H,8-11,13-24,54H2,1-7H3,(H,55,60);1H4;/t54-,55-,56?,57?,58+,63?,64-,65?,66+,67?,69?,70?,71?,72?,73?,74?,75-,76-,77-,82?,83-,84-,85+,86+,87?;26-,28?,29?,30+,31-,32?,33+,34+,36?,37?,38?,39?,40?,41?,42?,43?,44+,45+,46+,49?,50-,51+,52-,53?;;/m01../s1
InChIKeyXLOBSHMEXIVAAG-NBNUBFEPSA-N
XLogP17.84
TPSA539.04 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002847.94
LogP ≤ 517.84
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl] (4aS,6aS,6bS,8aS,10S)-2,2,6a,6b,9,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 159215059
[(2S,6R)-5-amino-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl] (6aS,6bS,8aS,10S)-2,2,6a,6b,9,10,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-5,9-diide-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (6aS,6bS,8aS,10S)-2,2,6a,6b,9,10,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-5,9-diide-4a-carboxylate;6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;tungsten;bis(vanadium)
CID 167575004
[(2S,5R)-4-methyl-5-[(12-oxo-12-phenylmethoxydodecanoyl)amino]-6-(phenylmethoxymethyl)-3-[[(4S,6R,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl] (4aR,6aS,6bS,8aR,9S,10S)-5,9-dimethoxy-2,2,6a,6b,9,10,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 158073490
[(2S,5R,6S)-5-(6-aminohexanoylamino)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5S,6aS,8aR,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 170516719
12-[[(3R,6S)-6-[(4aR,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbonyl]oxy-5-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-12-oxododecanoic acid
CID 140942807
12-[[(2S,3R,6S)-6-[(4aR,5S,6aS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbonyl]oxy-5-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-12-oxododecanoic acid
CID 170516643
[(2S,5R)-5-[11-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyundecanoylamino]-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5S,6aS,6bS,8aR,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 162465089
[(2R,3R,4S,5R,6S)-5-[12-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxydodecanoylamino]-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,6bR,9S,10S,12aR)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 44603497
[(2S,5R)-5-[11-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyundecanoylamino]-3-[(2S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5S,6aS,8aR,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 155761552
[5-(6-aminohexanoylamino)-3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,6bR,9R,10S,12aR)-5,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 169041217
[(2R,5R)-5-amino-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2R,5R)-4-methyl-5-[(12-oxo-12-phenylmethoxydodecanoyl)amino]-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl] (4aR,6aS,6bS,8aR,9R,10S)-10-[(2R,4S,5S)-6-acetyl-3-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyl-4-[(2S,4S,5S)-3,4,5-trimethyloxan-2-yl]oxyoxan-2-yl]oxy-9-formyl-5-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 161380147
(4aR,6aS,6bS,8aS,10S)-5-methoxy-2,2,6a,6b,9,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl] (4aR,6aS,6bS,8aS,10S)-5-methoxy-2,2,6a,6b,9,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl] ethanimidate;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 159946628

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 167694559) is [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is C.CC[C@]1(C)OC2C(O1)[C@H](OC1C(C)C(NC(=O)CCCCCNC(=O)OC(C)(C)C)[C@H](COCc3ccccc3)O[C@H]1OC(=O)C13CCC(C)(C)CC1C1=CCC4C5(C)CC[C@H](C)[C@](C)(C=O)[C@@H]5CC[C@]4(C)[C@]1(C)C[C@@H]3C)O[C@H](C)C2O[C@@H]1OCC(OCc2ccccc2)C(OCc2ccccc2)C1C.C[C@H]1O[C@@H](OC2C(O)C(NC(=O)CCCCCN)[C@H](CO)O[C@H]2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@]4(C)[C@]2(C)C[C@@H]3OO)C(O)C(O)C1O[C@@H]1OCC(O)C(O)C1O.S=S=S=S=S=S=S=S=S=S.
What is the InChIKey of [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is XLOBSHMEXIVAAG-NBNUBFEPSA-N. The full InChI is InChI=1S/C87H126N2O16.C53H86N2O19.CH4.S10/c1-17-86(16)103-73-72(101-75-57(5)70(96-50-61-34-26-20-27-35-61)65(52-97-75)95-49-60-32-24-19-25-33-60)58(6)98-77(74(73)104-86)100-71-56(4)69(89-68(91)36-28-21-29-45-88-79(93)105-80(7,8)9)64(51-94-48-59-30-22-18-23-31-59)99-76(71)102-78(92)87-44-43-81(10,11)47-63(87)62-37-38-67-82(12)41-39-54(2)83(13,53-90)66(82)40-42-84(67,14)85(62,15)46-55(87)3;1-26-42(71-44-40(64)37(61)29(58)24-68-44)39(63)41(65)45(69-26)72-43-38(62)36(55-35(60)11-9-8-10-20-54)30(23-56)70-46(43)73-47(66)53-19-18-48(2,3)21-28(53)27-12-13-32-49(4)16-15-33(59)50(5,25-57)31(49)14-17-51(32,6)52(27,7)22-34(53)74-67;;1-3-5-7-9-10-8-6-4-2/h18-20,22-27,30-35,37,53-58,63-67,69-77H,17,21,28-29,36,38-52H2,1-16H3,(H,88,93)(H,89,91);12,25-26,28-34,36-46,56,58-59,61-65,67H,8-11,13-24,54H2,1-7H3,(H,55,60);1H4;/t54-,55-,56?,57?,58+,63?,64-,65?,66+,67?,69?,70?,71?,72?,73?,74?,75-,76-,77-,82?,83-,84-,85+,86+,87?;26-,28?,29?,30+,31-,32?,33+,34+,36?,37?,38?,39?,40?,41?,42?,43?,44+,45+,46+,49?,50-,51+,52-,53?;;/m01../s1.
What are the key properties of [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
[(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 2847.94 g/mol, XLogP of 17.84, 40 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-5-(6-aminohexanoylamino)-3-[(2S,6R)-3,4-dihydroxy-6-methyl-5-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9R,10S)-9-formyl-5-hydroperoxy-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,6R)-3-[[(2R,4S,6R)-2-ethyl-2,6-dimethyl-7-[(2S)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-6-(phenylmethoxymethyl)oxan-2-yl] (5S,6aS,6bS,8aR,9S,10S)-9-formyl-2,2,5,6a,6b,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;methane;sulfanylidene-[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 167694559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).