(8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol

C20H26O2 — CID 22295925

IUPAC(8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
SMILESCc1c(O)cc2c(c1C)[C@H]1CC[C@]3(C)C(O)CC[C@H]3[C@@H]1C=C2
InChIInChI=1S/C20H26O2/c1-11-12(2)19-13(10-17(11)21)4-5-14-15(19)8-9-20(3)16(14)6-7-18(20)22/h4-5,10,14-16,18,21-22H,6-9H2,1-3H3/t14-,15+,16+,18?,20+/m1/s1
InChIKeyHOMVDMWYAAUBDI-CYTVSICUSA-N
MW298.43 g/mol
LogP4.31
Rot. Bonds

About (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol

(8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol (PubChem CID 22295925) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol.

Molecular Properties

Compound Name(8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
PubChem CID22295925
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name(8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
SMILESCc1c(O)cc2c(c1C)[C@H]1CC[C@]3(C)C(O)CC[C@H]3[C@@H]1C=C2
InChIInChI=1S/C20H26O2/c1-11-12(2)19-13(10-17(11)21)4-5-14-15(19)8-9-20(3)16(14)6-7-18(20)22/h4-5,10,14-16,18,21-22H,6-9H2,1-3H3/t14-,15+,16+,18?,20+/m1/s1
InChIKeyHOMVDMWYAAUBDI-CYTVSICUSA-N
XLogP4.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol?
The IUPAC name of (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol (CID 22295925) is (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol.
What is the SMILES notation for (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol?
The canonical SMILES for (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol is Cc1c(O)cc2c(c1C)[C@H]1CC[C@]3(C)C(O)CC[C@H]3[C@@H]1C=C2.
What is the InChIKey of (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol?
The InChIKey is HOMVDMWYAAUBDI-CYTVSICUSA-N. The full InChI is InChI=1S/C20H26O2/c1-11-12(2)19-13(10-17(11)21)4-5-14-15(19)8-9-20(3)16(14)6-7-18(20)22/h4-5,10,14-16,18,21-22H,6-9H2,1-3H3/t14-,15+,16+,18?,20+/m1/s1.
What are the key properties of (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol?
(8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol has a molecular weight of 298.43 g/mol, XLogP of 4.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,13S,14S)-1,2,13-trimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol is sourced from PubChem (CID 22295925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).