benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

C193H292N4O49 — CID 158733659

About benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate (PubChem CID 158733659) has the molecular formula C193H292N4O49 and a molecular weight of 3452.44 g/mol. Its IUPAC name is benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate.

Molecular Properties

• Compound Name: benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
• PubChem CID: 158733659
• Molecular Formula: C193H292N4O49
• Molecular Weight: 3452.44 g/mol
• Exact Mass: 3450.05
• IUPAC Name: benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
• SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(OCOCc1ccccc1)C(=O)O.CC1=C2C(C)C(=O)[C@]3(C)[C@@H](OC(=O)OCc4ccccc4)C[C@H]4OC[C@@]4(C)[C@H]3[C@H](C)[C@](O)(C[C@@H]1OC(=O)C(OCOCc1ccccc1)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C2(C)C.CC1=C2[C@@H](C)C(=O)[C@]3(C)[C@@H](OC(=O)OCc4ccccc4)C[C@H]4OC[C@@]4(C)[C@H]3[C@H](C)[C@](O)(C[C@@H]1O)C2(C)C.CC1=C2[C@@H](O)C(=O)[C@@]3(C)[C@H]([C@H](C)[C@](O)(C[C@@H]1OC(=O)[C@H](C)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C2(C)C)[C@]1(C)CO[C@@H]1C[C@@H]3C.CC1=C2[C@@H](O)C(=O)[C@@]3(C)[C@H]([C@H](C)[C@](O)(C[C@@H]1OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C2(C)C)[C@]1(C)CO[C@@H]1C[C@@H]3O.C[C@H]1[C@@H]2[C@]3(C)CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](O)C2C[C@@H](O)C[C@]1(O)C2(C)C
• InChI: InChI=1S/C51H71NO12.C36H59NO8.C34H55NO10.C31H42O7.C21H34O6.C20H31NO6/c1-30(2)23-36(52-45(55)64-47(6,7)8)41(61-29-58-26-34-19-15-13-16-20-34)44(54)62-37-25-51(57)33(5)42-49(11)28-60-38(49)24-39(63-46(56)59-27-35-21-17-14-18-22-35)50(42,12)43(53)32(4)40(31(37)3)48(51,9)10;1-18(2)14-23(37-31(41)45-32(7,8)9)20(4)30(40)44-24-16-36(42)22(6)28-34(12)17-43-25(34)15-19(3)35(28,13)29(39)27(38)26(21(24)5)33(36,10)11;1-16(2)12-19(35-29(41)45-30(5,6)7)24(37)28(40)44-20-14-34(42)18(4)26-32(10)15-43-22(32)13-21(36)33(26,11)27(39)25(38)23(17(20)3)31(34,8)9;1-17-21(32)14-31(35)19(3)25-29(6)16-37-22(29)13-23(38-27(34)36-15-20-11-9-8-10-12-20)30(25,7)26(33)18(2)24(17)28(31,4)5;1-10-16-19(4)9-27-14(19)7-13(23)20(16,5)17(25)15(24)12-6-11(22)8-21(10,26)18(12,2)3;1-14(2)11-16(21-19(24)27-20(3,4)5)17(18(22)23)26-13-25-12-15-9-7-6-8-10-15/h13-22,30,32-33,36-39,41-42,57H,23-29H2,1-12H3,(H,52,55);18-20,22-25,27-28,38,42H,14-17H2,1-13H3,(H,37,41);16,18-22,24-26,36-38,42H,12-15H2,1-11H3,(H,35,41);8-12,18-19,21-23,25,32,35H,13-16H2,1-7H3;10-16,22-24,26H,6-9H2,1-5H3;6-10,14,16-17H,11-13H2,1-5H3,(H,21,24)(H,22,23)/t32?,33-,36-,37-,38+,39-,41?,42+,49+,50+,51+;19-,20+,22-,23-,24-,25+,27+,28+,34+,35+,36+;18-,19-,20-,21-,22+,24+,25+,26+,32+,33+,34+;18-,19+,21+,22-,23+,25-,29-,30-,31-;10-,11+,12?,13-,14+,15+,16+,19+,20+,21+;16-,17?/m000100/s1
• InChIKey: ILKDEYVYKYALGD-VKVXEKQDSA-N
• XLogP: 26.82
• TPSA: 771.99 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 48
• Rotatable Bonds: 39
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3452.44
LogP ≤ 5	26.82
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?

The IUPAC name of benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate (CID 158733659) is benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate.

What is the SMILES notation for benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?

The canonical SMILES for benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(OCOCc1ccccc1)C(=O)O.CC1=C2C(C)C(=O)[C@]3(C)[C@@H](OC(=O)OCc4ccccc4)C[C@H]4OC[C@@]4(C)[C@H]3[C@H](C)[C@](O)(C[C@@H]1OC(=O)C(OCOCc1ccccc1)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C2(C)C.CC1=C2[C@@H](C)C(=O)[C@]3(C)[C@@H](OC(=O)OCc4ccccc4)C[C@H]4OC[C@@]4(C)[C@H]3[C@H](C)[C@](O)(C[C@@H]1O)C2(C)C.CC1=C2[C@@H](O)C(=O)[C@@]3(C)[C@H]([C@H](C)[C@](O)(C[C@@H]1OC(=O)[C@H](C)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C2(C)C)[C@]1(C)CO[C@@H]1C[C@@H]3C.CC1=C2[C@@H](O)C(=O)[C@@]3(C)[C@H]([C@H](C)[C@](O)(C[C@@H]1OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C2(C)C)[C@]1(C)CO[C@@H]1C[C@@H]3O.C[C@H]1[C@@H]2[C@]3(C)CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](O)C2C[C@@H](O)C[C@]1(O)C2(C)C.

What is the InChIKey of benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?

The InChIKey is ILKDEYVYKYALGD-VKVXEKQDSA-N. The full InChI is InChI=1S/C51H71NO12.C36H59NO8.C34H55NO10.C31H42O7.C21H34O6.C20H31NO6/c1-30(2)23-36(52-45(55)64-47(6,7)8)41(61-29-58-26-34-19-15-13-16-20-34)44(54)62-37-25-51(57)33(5)42-49(11)28-60-38(49)24-39(63-46(56)59-27-35-21-17-14-18-22-35)50(42,12)43(53)32(4)40(31(37)3)48(51,9)10;1-18(2)14-23(37-31(41)45-32(7,8)9)20(4)30(40)44-24-16-36(42)22(6)28-34(12)17-43-25(34)15-19(3)35(28,13)29(39)27(38)26(21(24)5)33(36,10)11;1-16(2)12-19(35-29(41)45-30(5,6)7)24(37)28(40)44-20-14-34(42)18(4)26-32(10)15-43-22(32)13-21(36)33(26,11)27(39)25(38)23(17(20)3)31(34,8)9;1-17-21(32)14-31(35)19(3)25-29(6)16-37-22(29)13-23(38-27(34)36-15-20-11-9-8-10-12-20)30(25,7)26(33)18(2)24(17)28(31,4)5;1-10-16-19(4)9-27-14(19)7-13(23)20(16,5)17(25)15(24)12-6-11(22)8-21(10,26)18(12,2)3;1-14(2)11-16(21-19(24)27-20(3,4)5)17(18(22)23)26-13-25-12-15-9-7-6-8-10-15/h13-22,30,32-33,36-39,41-42,57H,23-29H2,1-12H3,(H,52,55);18-20,22-25,27-28,38,42H,14-17H2,1-13H3,(H,37,41);16,18-22,24-26,36-38,42H,12-15H2,1-11H3,(H,35,41);8-12,18-19,21-23,25,32,35H,13-16H2,1-7H3;10-16,22-24,26H,6-9H2,1-5H3;6-10,14,16-17H,11-13H2,1-5H3,(H,21,24)(H,22,23)/t32?,33-,36-,37-,38+,39-,41?,42+,49+,50+,51+;19-,20+,22-,23-,24-,25+,27+,28+,34+,35+,36+;18-,19-,20-,21-,22+,24+,25+,26+,32+,33+,34+;18-,19+,21+,22-,23+,25-,29-,30-,31-;10-,11+,12?,13-,14+,15+,16+,19+,20+,21+;16-,17?/m000100/s1.

What are the key properties of benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?

benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate has a molecular weight of 3452.44 g/mol, XLogP of 26.82, 39 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl [(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,15-dihydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] carbonate;[(1R,2S,3R,4R,7R,9S,10R,12R,15S)-1,12-dihydroxy-2,4,9,10,14,17,17-heptamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;[(1R,2S,3R,4R,7R,9S,10S,15S)-1-hydroxy-2,4,10,12,14,17,17-heptamethyl-11-oxo-9-phenylmethoxycarbonyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoate;(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethoxy)hexanoic acid;(1R,2S,3R,4R,7R,9S,10S,12R,15R)-1,9,12,15-tetrahydroxy-2,4,10,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadecan-11-one;[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1,9,12-trihydroxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate is sourced from PubChem (CID 158733659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).