(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine

C118H165N7O7 — CID 160960261

IUPAC(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine
SMILESCOc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5CCOCC[C@]5(C)[C@H]4CC[C@]23C)c1.COc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5COCCC[C@]5(C)[C@H]4CC[C@]23C)c1.C[C@]12CC(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnn3)=CC[C@@H]12.C[C@]12CCCOC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12.C[C@]12CCOCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12
InChIInChI=1S/2C25H35NO2.2C24H33NO.C20H29N3O/c1-24-10-4-12-28-16-18(24)5-6-20-22-8-7-21(25(22,2)11-9-23(20)24)17-13-19(27-3)15-26-14-17;1-24-11-13-28-12-9-18(24)4-5-20-22-7-6-21(25(22,2)10-8-23(20)24)17-14-19(27-3)16-26-15-17;1-23-11-4-14-26-16-18(23)6-7-19-21-9-8-20(17-5-3-13-25-15-17)24(21,2)12-10-22(19)23;1-23-12-15-26-14-10-18(23)5-6-19-21-8-7-20(17-4-3-13-25-16-17)24(21,2)11-9-22(19)23;1-19-8-7-17-15(4-3-13-11-14(24)12-20(13,17)2)16(19)5-6-18(19)23-10-9-21-22-23/h7,13-15,18,20,22-23H,4-6,8-12,16H2,1-3H3;6,14-16,18,20,22-23H,4-5,7-13H2,1-3H3;3,5,8,13,15,18-19,21-22H,4,6-7,9-12,14,16H2,1-2H3;3-4,7,13,16,18-19,21-22H,5-6,8-12,14-15H2,1-2H3;6,9-10,13-17,24H,3-5,7-8,11-12H2,1-2H3/t2*18-,20-,22-,23-,24-,25+;2*18-,19-,21-,22-,23-,24+;13-,14?,15-,16-,17-,19-,20-/m00000/s1
InChIKeySWXPGQQBEHGYEU-GSCBWMFZSA-N
MW1793.66 g/mol
LogP26.74
Rot. Bonds7

About (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine

(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine (PubChem CID 160960261) has the molecular formula C118H165N7O7 and a molecular weight of 1793.66 g/mol. Its IUPAC name is (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine.

Molecular Properties

Compound Name(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine
PubChem CID160960261
Molecular FormulaC118H165N7O7
Molecular Weight1793.66 g/mol
Exact Mass1792.28
IUPAC Name(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine
SMILESCOc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5CCOCC[C@]5(C)[C@H]4CC[C@]23C)c1.COc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5COCCC[C@]5(C)[C@H]4CC[C@]23C)c1.C[C@]12CC(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnn3)=CC[C@@H]12.C[C@]12CCCOC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12.C[C@]12CCOCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12
InChIInChI=1S/2C25H35NO2.2C24H33NO.C20H29N3O/c1-24-10-4-12-28-16-18(24)5-6-20-22-8-7-21(25(22,2)11-9-23(20)24)17-13-19(27-3)15-26-14-17;1-24-11-13-28-12-9-18(24)4-5-20-22-7-6-21(25(22,2)10-8-23(20)24)17-14-19(27-3)16-26-15-17;1-23-11-4-14-26-16-18(23)6-7-19-21-9-8-20(17-5-3-13-25-15-17)24(21,2)12-10-22(19)23;1-23-12-15-26-14-10-18(23)5-6-19-21-8-7-20(17-4-3-13-25-16-17)24(21,2)11-9-22(19)23;1-19-8-7-17-15(4-3-13-11-14(24)12-20(13,17)2)16(19)5-6-18(19)23-10-9-21-22-23/h7,13-15,18,20,22-23H,4-6,8-12,16H2,1-3H3;6,14-16,18,20,22-23H,4-5,7-13H2,1-3H3;3,5,8,13,15,18-19,21-22H,4,6-7,9-12,14,16H2,1-2H3;3-4,7,13,16,18-19,21-22H,5-6,8-12,14-15H2,1-2H3;6,9-10,13-17,24H,3-5,7-8,11-12H2,1-2H3/t2*18-,20-,22-,23-,24-,25+;2*18-,19-,21-,22-,23-,24+;13-,14?,15-,16-,17-,19-,20-/m00000/s1
InChIKeySWXPGQQBEHGYEU-GSCBWMFZSA-N
XLogP26.74
TPSA157.88 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001793.66
LogP ≤ 526.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine with MolForge

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Related Compounds

3-[(2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine
CID 57387680
3a,5a-dimethyl-6-pyridin-3-yl-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol
CID 77405718
(10S,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 146157849
3-(2,16-dimethyl-15-tetracyclo[9.7.0.02,8.012,16]octadec-14-enyl)pyridine
CID 76533728
3-[(3S,10S,13S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyridine
CID 122644566
(3S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 57385658
3-[(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-2-nitroso-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]pyridine
CID 123159977
(3aS,3bS,10aR,10bS,12aS)-6,10a,12a-trimethyl-1-(5-methyl-3-pyridinyl)-3,3a,3b,4,8,9,10,10b,11,12-decahydroindeno[5,4-g][1]benzazepin-7-one;(3aS,3bS,10aR,10bS,12aS)-6,10a,12a-trimethyl-1-pyridin-3-yl-3,3a,3b,4,8,9,10,10b,11,12-decahydroindeno[5,4-g][1]benzazepin-7-one;(3aS,3bS,10aR,10bS,12aS)-1-(5-methoxy-3-pyridinyl)-6,10a,12a-trimethyl-3,3a,3b,4,8,9,10,10b,11,12-decahydroindeno[5,4-g][1]benzazepin-7-one
CID 159880389
N-(10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylacetamide
CID 76533146
(3aR,3bS,5aS,8aS,8bS)-1,3a,5a-trimethyl-6-pyridin-3-yl-3,3b,4,5,8,8a,8b,9,10,10a-decahydro-2H-indeno[5,4-e]indole
CID 53311671
(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-15-(triazol-1-yl)-6-azatetracyclo[9.7.0.02,8.012,16]octadec-14-en-5-one
CID 53311753
2,4,10,13-tetramethyl-17-pyridin-3-yl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
CID 77405341

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine?
The IUPAC name of (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine (CID 160960261) is (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine.
What is the SMILES notation for (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine?
The canonical SMILES for (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine is COc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5CCOCC[C@]5(C)[C@H]4CC[C@]23C)c1.COc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5COCCC[C@]5(C)[C@H]4CC[C@]23C)c1.C[C@]12CC(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnn3)=CC[C@@H]12.C[C@]12CCCOC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12.C[C@]12CCOCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12.
What is the InChIKey of (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine?
The InChIKey is SWXPGQQBEHGYEU-GSCBWMFZSA-N. The full InChI is InChI=1S/2C25H35NO2.2C24H33NO.C20H29N3O/c1-24-10-4-12-28-16-18(24)5-6-20-22-8-7-21(25(22,2)11-9-23(20)24)17-13-19(27-3)15-26-14-17;1-24-11-13-28-12-9-18(24)4-5-20-22-7-6-21(25(22,2)10-8-23(20)24)17-14-19(27-3)16-26-15-17;1-23-11-4-14-26-16-18(23)6-7-19-21-9-8-20(17-5-3-13-25-15-17)24(21,2)12-10-22(19)23;1-23-12-15-26-14-10-18(23)5-6-19-21-8-7-20(17-4-3-13-25-16-17)24(21,2)11-9-22(19)23;1-19-8-7-17-15(4-3-13-11-14(24)12-20(13,17)2)16(19)5-6-18(19)23-10-9-21-22-23/h7,13-15,18,20,22-23H,4-6,8-12,16H2,1-3H3;6,14-16,18,20,22-23H,4-5,7-13H2,1-3H3;3,5,8,13,15,18-19,21-22H,4,6-7,9-12,14,16H2,1-2H3;3-4,7,13,16,18-19,21-22H,5-6,8-12,14-15H2,1-2H3;6,9-10,13-17,24H,3-5,7-8,11-12H2,1-2H3/t2*18-,20-,22-,23-,24-,25+;2*18-,19-,21-,22-,23-,24+;13-,14?,15-,16-,17-,19-,20-/m00000/s1.
What are the key properties of (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine?
(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine has a molecular weight of 1793.66 g/mol, XLogP of 26.74, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-6-(triazol-1-yl)-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-ol;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]-5-methoxypyridine;3-[(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine;3-[(1S,2R,8R,11R,12S,16S)-2,16-dimethyl-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-14-en-15-yl]pyridine is sourced from PubChem (CID 160960261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).