methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate

C129H181FN6O19 — CID 161405758

IUPACmethyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
SMILESCCNC(=O)C1=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O.COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C(=O)NO)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2.COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(F)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2.COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(c5nn[nH]n5)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
InChIInChI=1S/C34H49NO5.C32H44N4O4.C32H45NO6.C31H43FO4/c1-10-35-27(38)20-18-31(6)23(30(4,5)26(20)37)11-12-32(7)24(31)17-22(36)25-21-19-29(2,3)13-15-34(21,28(39)40-9)16-14-33(25,32)8;1-27(2)11-13-32(26(39)40-8)14-12-31(7)23(19(32)17-27)20(37)15-22-29(5)16-18(25-33-35-36-34-25)24(38)28(3,4)21(29)9-10-30(22,31)6;1-27(2)11-13-32(26(37)39-8)14-12-31(7)23(19(32)17-27)20(34)15-22-29(5)16-18(25(36)33-38)24(35)28(3,4)21(29)9-10-30(22,31)6;1-26(2)11-13-31(25(35)36-8)14-12-30(7)23(18(31)16-26)20(33)15-22-28(5)17-19(32)24(34)27(3,4)21(28)9-10-29(22,30)6/h17-18,21,23,25H,10-16,19H2,1-9H3,(H,35,38);15-16,19,21,23H,9-14,17H2,1-8H3,(H,33,34,35,36);15-16,19,21,23,38H,9-14,17H2,1-8H3,(H,33,36);15,17-18,21,23H,9-14,16H2,1-8H3/t21-,23-,25-,31-,32+,33+,34-;2*19-,21-,23-,29-,30+,31+,32-;18-,21-,23-,28-,29+,30+,31-/m0000/s1
InChIKeyVUUVALORGVKXSH-UTIKIPFVSA-N
MW2138.89 g/mol
LogP23.66
Rot. Bonds8

About methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate

methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate (PubChem CID 161405758) has the molecular formula C129H181FN6O19 and a molecular weight of 2138.89 g/mol. Its IUPAC name is methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate.

Molecular Properties

Compound Namemethyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
PubChem CID161405758
Molecular FormulaC129H181FN6O19
Molecular Weight2138.89 g/mol
Exact Mass2137.34
IUPAC Namemethyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
SMILESCCNC(=O)C1=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O.COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C(=O)NO)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2.COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(F)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2.COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(c5nn[nH]n5)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
InChIInChI=1S/C34H49NO5.C32H44N4O4.C32H45NO6.C31H43FO4/c1-10-35-27(38)20-18-31(6)23(30(4,5)26(20)37)11-12-32(7)24(31)17-22(36)25-21-19-29(2,3)13-15-34(21,28(39)40-9)16-14-33(25,32)8;1-27(2)11-13-32(26(39)40-8)14-12-31(7)23(19(32)17-27)20(37)15-22-29(5)16-18(25-33-35-36-34-25)24(38)28(3,4)21(29)9-10-30(22,31)6;1-27(2)11-13-32(26(37)39-8)14-12-31(7)23(19(32)17-27)20(34)15-22-29(5)16-18(25(36)33-38)24(35)28(3,4)21(29)9-10-30(22,31)6;1-26(2)11-13-31(25(35)36-8)14-12-30(7)23(18(31)16-26)20(33)15-22-28(5)17-19(32)24(34)27(3,4)21(28)9-10-29(22,30)6/h17-18,21,23,25H,10-16,19H2,1-9H3,(H,35,38);15-16,19,21,23H,9-14,17H2,1-8H3,(H,33,34,35,36);15-16,19,21,23,38H,9-14,17H2,1-8H3,(H,33,36);15,17-18,21,23H,9-14,16H2,1-8H3/t21-,23-,25-,31-,32+,33+,34-;2*19-,21-,23-,29-,30+,31+,32-;18-,21-,23-,28-,29+,30+,31-/m0000/s1
InChIKeyVUUVALORGVKXSH-UTIKIPFVSA-N
XLogP23.66
TPSA374.65 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002138.89
LogP ≤ 523.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate?
The IUPAC name of methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate (CID 161405758) is methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate.
What is the SMILES notation for methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate?
The canonical SMILES for methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate is CCNC(=O)C1=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O.COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C(=O)NO)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2.COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(F)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2.COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(c5nn[nH]n5)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2.
What is the InChIKey of methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate?
The InChIKey is VUUVALORGVKXSH-UTIKIPFVSA-N. The full InChI is InChI=1S/C34H49NO5.C32H44N4O4.C32H45NO6.C31H43FO4/c1-10-35-27(38)20-18-31(6)23(30(4,5)26(20)37)11-12-32(7)24(31)17-22(36)25-21-19-29(2,3)13-15-34(21,28(39)40-9)16-14-33(25,32)8;1-27(2)11-13-32(26(39)40-8)14-12-31(7)23(19(32)17-27)20(37)15-22-29(5)16-18(25-33-35-36-34-25)24(38)28(3,4)21(29)9-10-30(22,31)6;1-27(2)11-13-32(26(37)39-8)14-12-31(7)23(19(32)17-27)20(34)15-22-29(5)16-18(25(36)33-38)24(35)28(3,4)21(29)9-10-30(22,31)6;1-26(2)11-13-31(25(35)36-8)14-12-30(7)23(18(31)16-26)20(33)15-22-28(5)17-19(32)24(34)27(3,4)21(28)9-10-29(22,30)6/h17-18,21,23,25H,10-16,19H2,1-9H3,(H,35,38);15-16,19,21,23H,9-14,17H2,1-8H3,(H,33,34,35,36);15-16,19,21,23,38H,9-14,17H2,1-8H3,(H,33,36);15,17-18,21,23H,9-14,16H2,1-8H3/t21-,23-,25-,31-,32+,33+,34-;2*19-,21-,23-,29-,30+,31+,32-;18-,21-,23-,28-,29+,30+,31-/m0000/s1.
What are the key properties of methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate?
methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate has a molecular weight of 2138.89 g/mol, XLogP of 23.66, 8 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-11-(2H-tetrazol-5-yl)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(ethylcarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-11-fluoro-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-(hydroxycarbamoyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate is sourced from PubChem (CID 161405758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).