(13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene

C20H24O — CID 95564593

IUPAC(13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene
SMILESCOc1ccc2c3c(ccc2c1)[C@@H]1CC[C@H](C)[C@@]1(C)CC3
InChIInChI=1S/C20H24O/c1-13-4-9-19-18-7-5-14-12-15(21-3)6-8-16(14)17(18)10-11-20(13,19)2/h5-8,12-13,19H,4,9-11H2,1-3H3/t13-,19-,20+/m0/s1
InChIKeyCZFSAKQUVJCCQO-QTJFZDIUSA-N
MW280.41 g/mol
LogP5.31
Rot. Bonds1

About (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene

(13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene (PubChem CID 95564593) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene
PubChem CID95564593
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene
SMILESCOc1ccc2c3c(ccc2c1)[C@@H]1CC[C@H](C)[C@@]1(C)CC3
InChIInChI=1S/C20H24O/c1-13-4-9-19-18-7-5-14-12-15(21-3)6-8-16(14)17(18)10-11-20(13,19)2/h5-8,12-13,19H,4,9-11H2,1-3H3/t13-,19-,20+/m0/s1
InChIKeyCZFSAKQUVJCCQO-QTJFZDIUSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[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

[(13S,14R,17R)-3-methoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 7366945
8-methoxy-12a-methyl-2,3,4,4a,11,12-hexahydrochrysen-1-one
CID 626328
(13R,14S)-13-ethyl-3-methoxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
CID 22295889
lithium (3S,3aR,9bR)-7-methoxy-3a-methyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-olate
CID 134982320
(13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one
CID 57376665
(8S,9S,13R,14S,17S)-3-methoxy-13,17-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 59630580
[(13S,14S,17S)-3-methoxy-2,13-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 11439167
[(13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-13,16-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] acetate
CID 22809878
ethane;(13R,14R,17S)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-ol
CID 91344405
[(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-oxo-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-16-ylidene]ethyl] acetate
CID 71586796
(13S)-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthren-17-ol
CID 22295689
(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine
CID 14924019

Frequently Asked Questions

What is the IUPAC name of (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene?
The IUPAC name of (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene (CID 95564593) is (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene?
The canonical SMILES for (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene is COc1ccc2c3c(ccc2c1)[C@@H]1CC[C@H](C)[C@@]1(C)CC3.
What is the InChIKey of (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene?
The InChIKey is CZFSAKQUVJCCQO-QTJFZDIUSA-N. The full InChI is InChI=1S/C20H24O/c1-13-4-9-19-18-7-5-14-12-15(21-3)6-8-16(14)17(18)10-11-20(13,19)2/h5-8,12-13,19H,4,9-11H2,1-3H3/t13-,19-,20+/m0/s1.
What are the key properties of (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene?
(13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene has a molecular weight of 280.41 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 95564593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).