(3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

C99H144N12O15 — CID 172976057

IUPAC(3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
SMILESCC(C)CCC[C@@H](C)[C@H]1CCC2C3/C(=N/Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])C=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C.CC(C)CCC[C@@H](C)[C@H]1CCC2C3C(/C=N/Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C.CC(C)CCC[C@@H](C)[C@H]1CCC2C3C(/C=N/Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@]4(O)C=CCC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/3C33H48N4O5/c1-21(2)9-8-10-22(3)24-12-13-25-30-26(15-18-31(24,25)4)32(5)16-6-7-17-33(32,38)27(30)20-34-35-28-14-11-23(36(39)40)19-29(28)37(41)42;1-20(2)7-6-8-21(3)25-10-11-26-31-27(14-16-33(25,26)5)32(4)15-13-24(38)17-22(32)18-29(31)35-34-28-12-9-23(36(39)40)19-30(28)37(41)42;1-20(2)7-6-8-21(3)25-10-11-26-31-24(19-34-35-29-12-9-22(36(39)40)17-30(29)37(41)42)28-18-23(38)13-15-33(28,5)27(31)14-16-32(25,26)4/h7,11,14,17,19-22,24-27,30,35,38H,6,8-10,12-13,15-16,18H2,1-5H3;9,12,18-21,24-27,31,34,38H,6-8,10-11,13-17H2,1-5H3;9,12,17,19-21,23,25-27,31,35,38H,6-8,10-11,13-16,18H2,1-5H3/b34-20+;35-29+;34-19+/t22-,24-,25?,26?,27?,30?,31-,32-,33-;21-,24+,25-,26?,27?,31?,32+,33-;21-,23+,25-,26?,27?,31?,32-,33-/m111/s1
InChIKeyJTXNUBHXZXAMHZ-AQLARSGPSA-N
MW1742.31 g/mol
LogP24.71
Rot. Bonds29

About (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

(3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 172976057) has the molecular formula C99H144N12O15 and a molecular weight of 1742.31 g/mol. Its IUPAC name is (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
PubChem CID172976057
Molecular FormulaC99H144N12O15
Molecular Weight1742.31 g/mol
Exact Mass1741.09
IUPAC Name(3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
SMILESCC(C)CCC[C@@H](C)[C@H]1CCC2C3/C(=N/Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])C=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C.CC(C)CCC[C@@H](C)[C@H]1CCC2C3C(/C=N/Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C.CC(C)CCC[C@@H](C)[C@H]1CCC2C3C(/C=N/Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@]4(O)C=CCC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/3C33H48N4O5/c1-21(2)9-8-10-22(3)24-12-13-25-30-26(15-18-31(24,25)4)32(5)16-6-7-17-33(32,38)27(30)20-34-35-28-14-11-23(36(39)40)19-29(28)37(41)42;1-20(2)7-6-8-21(3)25-10-11-26-31-27(14-16-33(25,26)5)32(4)15-13-24(38)17-22(32)18-29(31)35-34-28-12-9-23(36(39)40)19-30(28)37(41)42;1-20(2)7-6-8-21(3)25-10-11-26-31-24(19-34-35-29-12-9-22(36(39)40)17-30(29)37(41)42)28-18-23(38)13-15-33(28,5)27(31)14-16-32(25,26)4/h7,11,14,17,19-22,24-27,30,35,38H,6,8-10,12-13,15-16,18H2,1-5H3;9,12,18-21,24-27,31,34,38H,6-8,10-11,13-17H2,1-5H3;9,12,17,19-21,23,25-27,31,35,38H,6-8,10-11,13-16,18H2,1-5H3/b34-20+;35-29+;34-19+/t22-,24-,25?,26?,27?,30?,31-,32-,33-;21-,24+,25-,26?,27?,31?,32+,33-;21-,23+,25-,26?,27?,31?,32-,33-/m111/s1
InChIKeyJTXNUBHXZXAMHZ-AQLARSGPSA-N
XLogP24.71
TPSA392.70 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001742.31
LogP ≤ 524.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol with MolForge

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Related Compounds

trans-(1S,4R)-4-[(1R,4S,7aR)-4-[2-[(2,4-dinitrophenyl)diazenyl]ethyl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-3-[(2,4-dinitroanilino)methylidene]-4-methylcyclohexan-1-ol
CID 91364234
(3S)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
CID 91746649
actinium;(10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
CID 59884221
(4R)-4-[(3R,3aR,5bR,8S,9aR,10S)-10-[(2,4-dinitroanilino)methyliminomethyl]-8,9a-dihydroxy-3a,5b-dimethyl-2,3,4,5,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclopenta[a]fluoren-3-yl]pentanoic acid
CID 173483169
N-[(E)-[(3S,3aR,9aS,9bS)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-7-ylidene]amino]-2,4-dinitroaniline
CID 125031289
(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol;hydrate
CID 141498232
ethyl 2-[(3R,3aS,5aR,6S,7Z,9aS,9bR)-7-[(2,4-dinitrophenyl)hydrazinylidene]-3a,6-dimethyl-3-[(2S)-6-methylheptan-2-yl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]acetate
CID 98547424
[(3S,7Z,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 124567985
(3S,8S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 171817101
(3S,7S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CID 71748931
(3S,8R,9R,10R,13S,14R,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 638019
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 304

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol?
The IUPAC name of (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol (CID 172976057) is (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol is CC(C)CCC[C@@H](C)[C@H]1CCC2C3/C(=N/Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])C=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C.CC(C)CCC[C@@H](C)[C@H]1CCC2C3C(/C=N/Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C.CC(C)CCC[C@@H](C)[C@H]1CCC2C3C(/C=N/Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@]4(O)C=CCC[C@]4(C)C3CC[C@@]21C.
What is the InChIKey of (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol?
The InChIKey is JTXNUBHXZXAMHZ-AQLARSGPSA-N. The full InChI is InChI=1S/3C33H48N4O5/c1-21(2)9-8-10-22(3)24-12-13-25-30-26(15-18-31(24,25)4)32(5)16-6-7-17-33(32,38)27(30)20-34-35-28-14-11-23(36(39)40)19-29(28)37(41)42;1-20(2)7-6-8-21(3)25-10-11-26-31-27(14-16-33(25,26)5)32(4)15-13-24(38)17-22(32)18-29(31)35-34-28-12-9-23(36(39)40)19-30(28)37(41)42;1-20(2)7-6-8-21(3)25-10-11-26-31-24(19-34-35-29-12-9-22(36(39)40)17-30(29)37(41)42)28-18-23(38)13-15-33(28,5)27(31)14-16-32(25,26)4/h7,11,14,17,19-22,24-27,30,35,38H,6,8-10,12-13,15-16,18H2,1-5H3;9,12,18-21,24-27,31,34,38H,6-8,10-11,13-17H2,1-5H3;9,12,17,19-21,23,25-27,31,35,38H,6-8,10-11,13-16,18H2,1-5H3/b34-20+;35-29+;34-19+/t22-,24-,25?,26?,27?,30?,31-,32-,33-;21-,24+,25-,26?,27?,31?,32+,33-;21-,23+,25-,26?,27?,31?,32-,33-/m111/s1.
What are the key properties of (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol?
(3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 1742.31 g/mol, XLogP of 24.71, 29 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,5bR,9aR,10S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,10,10a,10b-decahydro-1H-cyclopenta[a]fluoren-9a-ol;(3R,3aR,5bR,8S)-10-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,6,7,8,9,10a,10b-dodecahydrocyclopenta[a]fluoren-8-ol;(3S,7Z,10R,13R,17R)-7-[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 172976057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).