(6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

C19H24O2 — CID 22809920

IUPAC(6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SMILESC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21
InChIInChI=1S/C19H24O2/c1-11-9-16-14(13-4-3-12(20)10-15(11)13)7-8-19(2)17(16)5-6-18(19)21/h3-4,10-11,14,16-17,20H,5-9H2,1-2H3/t11-,14+,16+,17-,19-/m0/s1
InChIKeyYUWICAWRFGMTPC-UHLBHMMKSA-N
MW284.40 g/mol
LogP4.38
Rot. Bonds

About (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

(6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (PubChem CID 22809920) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.

Molecular Properties

Compound Name(6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
PubChem CID22809920
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SMILESC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21
InChIInChI=1S/C19H24O2/c1-11-9-16-14(13-4-3-12(20)10-15(11)13)7-8-19(2)17(16)5-6-18(19)21/h3-4,10-11,14,16-17,20H,5-9H2,1-2H3/t11-,14+,16+,17-,19-/m0/s1
InChIKeyYUWICAWRFGMTPC-UHLBHMMKSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 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 (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
The IUPAC name of (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (CID 22809920) is (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
What is the SMILES notation for (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
The canonical SMILES for (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)c2ccc(O)cc21.
What is the InChIKey of (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
The InChIKey is YUWICAWRFGMTPC-UHLBHMMKSA-N. The full InChI is InChI=1S/C19H24O2/c1-11-9-16-14(13-4-3-12(20)10-15(11)13)7-8-19(2)17(16)5-6-18(19)21/h3-4,10-11,14,16-17,20H,5-9H2,1-2H3/t11-,14+,16+,17-,19-/m0/s1.
What are the key properties of (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
(6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one has a molecular weight of 284.40 g/mol, XLogP of 4.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R,9S,13S,14S)-3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 22809920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).