(3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol

C19H26O — CID 154342588

IUPAC(3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol
SMILESC[C@@]12C=CC[C@H]1[C@@H]1CCC3=C[C@H](O)C=C[C@]3(C)[C@H]1CC2
InChIInChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,7,9,11-12,14-17,20H,4-6,8,10H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1
InChIKeyXOVCYXHQJVVPTJ-UGCZWRCOSA-N
MW270.42 g/mol
LogP4.25
Rot. Bonds

About (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol

(3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol (PubChem CID 154342588) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol
PubChem CID154342588
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name(3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol
SMILESC[C@@]12C=CC[C@H]1[C@@H]1CCC3=C[C@H](O)C=C[C@]3(C)[C@H]1CC2
InChIInChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,7,9,11-12,14-17,20H,4-6,8,10H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1
InChIKeyXOVCYXHQJVVPTJ-UGCZWRCOSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol with MolForge

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Related Compounds

(8R,9S,10R,13S,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-3,17-diol
CID 90954980
(3S,10R,13S,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-3,17-diol
CID 11551008
(8R,9R,10R,13S,14S)-16-fluoro-10,13-dimethyl-17-(methylamino)-6,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-ol
CID 68997048
(6R,8S,9S,10R,13R,14S)-6-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
CID 15463291
(3S,8S,9R,10R,13R,14R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 162929301
bis((2S,4aS)-4a-methyl-5,6,7,8-tetrahydro-2H-naphthalen-2-ol);(4aS)-4a-methyl-5,6,7,8-tetrahydronaphthalen-2-one;(3S,10R,13R,17R)-17-ethenyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-ol;(10R,13R,17R)-17-ethenyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;methane
CID 160879423
(8S,9S,10R,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-11-one
CID 155137459
(10R,11S,13S)-3,11-dihydroxy-10,13-dimethyl-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 129201691
(8S,9S,10R,13R,14S)-4,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
CID 152780151
(8R,9R,10R,13S,14S)-3,7-dihydroxy-10,13-dimethyl-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 91367947
(3S,5R,8S,9S,10R,13R,14S)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthrene-3,5-diol
CID 12020354
(8S,9R,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-1-one
CID 57049057

Frequently Asked Questions

What is the IUPAC name of (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol?
The IUPAC name of (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol (CID 154342588) is (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol is C[C@@]12C=CC[C@H]1[C@@H]1CCC3=C[C@H](O)C=C[C@]3(C)[C@H]1CC2.
What is the InChIKey of (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is XOVCYXHQJVVPTJ-UGCZWRCOSA-N. The full InChI is InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,7,9,11-12,14-17,20H,4-6,8,10H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1.
What are the key properties of (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol?
(3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 270.42 g/mol, XLogP of 4.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 154342588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).