(8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol

C20H30O2 — CID 69398380

IUPAC(8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol
SMILESCC1CC2CCC=C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CCC3(O)O)[C@@H]21
InChIInChI=1S/C20H30O2/c1-13-12-14-6-4-5-9-18(14,2)15-7-10-19(3)16(17(13)15)8-11-20(19,21)22/h5,7,9,13-14,16-17,21-22H,4,6,8,10-12H2,1-3H3/t13?,14?,16-,17+,18-,19-/m0/s1
InChIKeyIEBMVHJNULDFNF-GUDWEGNJSA-N
MW302.46 g/mol
LogP4.04
Rot. Bonds

About (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol

(8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol (PubChem CID 69398380) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol.

Molecular Properties

Compound Name(8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol
PubChem CID69398380
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol
SMILESCC1CC2CCC=C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CCC3(O)O)[C@@H]21
InChIInChI=1S/C20H30O2/c1-13-12-14-6-4-5-9-18(14,2)15-7-10-19(3)16(17(13)15)8-11-20(19,21)22/h5,7,9,13-14,16-17,21-22H,4,6,8,10-12H2,1-3H3/t13?,14?,16-,17+,18-,19-/m0/s1
InChIKeyIEBMVHJNULDFNF-GUDWEGNJSA-N
XLogP4.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol 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,10R,13S,14S)-17-amino-10,13-dimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
CID 67055776
(10R,13S,14S)-7-amino-10,13-dimethyl-3,4,5,6,7,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol
CID 69398835
(9R,10R,13S,14S)-10,13-dimethyl-3,4,5,6,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol
CID 91587336
(8R,9R,10R,13S,14S)-10,13-dimethyl-3,4,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol
CID 67025032
(9S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol
CID 69493041
(8R,9R,10R,13S,14S)-7-amino-10,13-dimethyl-3,4,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol
CID 69397744
17-(1,2-dihydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol
CID 77398051
(10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene
CID 91494739
(10S,13S,17R)-17-hydroxy-7,10,13-trimethyl-17-propanoyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
CID 159420741
(8R,9R,10R,13S,14S)-10,13-dimethyl-3,4,5,6,7,8,9,11,12,14-decahydrocyclopenta[a]phenanthrene-17,17-diol
CID 69397999
(1aR,4R,7R,7aS,7bR)-1,1,4,7-tetramethyl-2,3,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-4-ol
CID 10727672
1-(1,2,4b-trimethyl-1,3,4,7,8,8a,9,10-octahydrophenanthren-2-yl)ethanol;ethane
CID 142950805

Frequently Asked Questions

What is the IUPAC name of (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol?
The IUPAC name of (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol (CID 69398380) is (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol.
What is the SMILES notation for (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol?
The canonical SMILES for (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol is CC1CC2CCC=C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CCC3(O)O)[C@@H]21.
What is the InChIKey of (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol?
The InChIKey is IEBMVHJNULDFNF-GUDWEGNJSA-N. The full InChI is InChI=1S/C20H30O2/c1-13-12-14-6-4-5-9-18(14,2)15-7-10-19(3)16(17(13)15)8-11-20(19,21)22/h5,7,9,13-14,16-17,21-22H,4,6,8,10-12H2,1-3H3/t13?,14?,16-,17+,18-,19-/m0/s1.
What are the key properties of (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol?
(8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol has a molecular weight of 302.46 g/mol, XLogP of 4.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,10R,13S,14S)-7,10,13-trimethyl-3,4,5,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol is sourced from PubChem (CID 69398380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).