(8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one

C17H20O2 — CID 21118274

IUPAC(8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
SMILESO=C1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@H]12
InChIInChI=1S/C17H20O2/c18-11-2-4-12-10(9-11)1-3-14-13(12)5-6-16-15(14)7-8-17(16)19/h2,4,9,13-16,18H,1,3,5-8H2/t13-,14-,15+,16+/m1/s1
InChIKeyXQWQFQPBDBNYDA-WCVJEAGWSA-N
MW256.34 g/mol
LogP3.43
Rot. Bonds

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

(8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one (PubChem CID 21118274) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one.

Molecular Properties

Compound Name(8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
PubChem CID21118274
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
SMILESO=C1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@H]12
InChIInChI=1S/C17H20O2/c18-11-2-4-12-10(9-11)1-3-14-13(12)5-6-16-15(14)7-8-17(16)19/h2,4,9,13-16,18H,1,3,5-8H2/t13-,14-,15+,16+/m1/s1
InChIKeyXQWQFQPBDBNYDA-WCVJEAGWSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[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

Related Compounds

(8S,9S,14S,16R,17R)-3,17-dihydroxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16-carboxylic acid
CID 53321635
17,17-dimethyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-3-ol
CID 66806140
(8R,9S,13S,14S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one
CID 22294729
ethane;(14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 145187135
sodium;hydride;(8S,9R,13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 173174187
(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
CID 22967916
(8S)-7,7,8-trimethyl-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
CID 58697889
(8S)-15-hydroxy-8-methyltetracyclo[9.8.0.02,8.012,17]nonadeca-12(17),13,15-trien-7-one
CID 58592182
(8R,9S,13S,14S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,17-octahydrocyclopenta[a]phenanthrene-15,16-dione
CID 154289934
(17S)-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 6432311
13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 520471
2-fluoroethyl (16R)-3,17-dihydroxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16-carboxylate
CID 10247156

Frequently Asked Questions

What is the IUPAC name of (8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one?
The IUPAC name of (8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one (CID 21118274) is (8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one.
What is the SMILES notation for (8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one?
The canonical SMILES for (8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one is O=C1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@H]12.
What is the InChIKey of (8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one?
The InChIKey is XQWQFQPBDBNYDA-WCVJEAGWSA-N. The full InChI is InChI=1S/C17H20O2/c18-11-2-4-12-10(9-11)1-3-14-13(12)5-6-16-15(14)7-8-17(16)19/h2,4,9,13-16,18H,1,3,5-8H2/t13-,14-,15+,16+/m1/s1.
What are the key properties of (8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one?
(8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one has a molecular weight of 256.34 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 21118274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).