(7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene

C19H30 — CID 22795304

IUPAC(7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
SMILESC[C@@H]1CC2=CCCC[C@@H]2[C@H]2CC[C@]3(C)CCC[C@H]3[C@@H]21
InChIInChI=1S/C19H30/c1-13-12-14-6-3-4-7-15(14)16-9-11-19(2)10-5-8-17(19)18(13)16/h6,13,15-18H,3-5,7-12H2,1-2H3/t13-,15+,16-,17+,18-,19+/m1/s1
InChIKeyFJRDNNPLOYCCHE-UCWSCHQOSA-N
MW258.45 g/mol
LogP5.59
Rot. Bonds

About (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene

(7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene (PubChem CID 22795304) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
PubChem CID22795304
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name(7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
SMILESC[C@@H]1CC2=CCCC[C@@H]2[C@H]2CC[C@]3(C)CCC[C@H]3[C@@H]21
InChIInChI=1S/C19H30/c1-13-12-14-6-3-4-7-15(14)16-9-11-19(2)10-5-8-17(19)18(13)16/h6,13,15-18H,3-5,7-12H2,1-2H3/t13-,15+,16-,17+,18-,19+/m1/s1
InChIKeyFJRDNNPLOYCCHE-UCWSCHQOSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene 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

(1S,7R,8S,9S,10R,13S,14S)-1,7,10,13-tetramethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 22797461
(7R,8R,9S,10R,13S,14S)-13-methyl-7-(1,1,2,2,2-pentafluoroethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 162045536
(8R,9R,10R,13R)-13-methyl-1,2,3,6,7,8,9,10,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 141158398
[(3Z,7R,8R,9S,10R,13S,14R,17R)-3-hydroxyimino-7,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanol
CID 86759646
(3aS,3bR,9aR,9bS,11aS)-11a-methyl-2,3,3a,3b,4,5,8,9,9a,9b,10,11-dodecahydro-1H-indeno[5,4-f]isochromene
CID 173156253
13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 2825522
(8R,9S,10R,13S,14S)-17,17-difluoro-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 154182388
(8R,9S,10R,13S,14S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-ol
CID 70544004
potassium;(7R,8R,9R,13S)-7,13-dimethyl-3-methylidene-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;hydroxide
CID 70146214
(8R,9S,10R,13R,14S)-7,13-dimethyl-2,6,7,8,9,10,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 57269266
[(1R,2R,4R,6R,7R,11R,14E,18R)-14-hydroxyimino-7,18-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-enyl]methanol
CID 89275723
(8S,9R,10R,13S,14S)-2-hydroxy-7,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 57324801

Frequently Asked Questions

What is the IUPAC name of (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene?
The IUPAC name of (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene (CID 22795304) is (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene?
The canonical SMILES for (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene is C[C@@H]1CC2=CCCC[C@@H]2[C@H]2CC[C@]3(C)CCC[C@H]3[C@@H]21.
What is the InChIKey of (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene?
The InChIKey is FJRDNNPLOYCCHE-UCWSCHQOSA-N. The full InChI is InChI=1S/C19H30/c1-13-12-14-6-3-4-7-15(14)16-9-11-19(2)10-5-8-17(19)18(13)16/h6,13,15-18H,3-5,7-12H2,1-2H3/t13-,15+,16-,17+,18-,19+/m1/s1.
What are the key properties of (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene?
(7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene has a molecular weight of 258.45 g/mol, XLogP of 5.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R,9S,10R,13S,14S)-7,13-dimethyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 22795304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).