(6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

C19H26O2 — CID 15463283

IUPAC(6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SMILESCC1=C2CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]2CC1
InChIInChI=1S/C19H26O2/c1-11-3-4-14-13(11)5-6-16-15(14)10-18(21)17-9-12(20)7-8-19(16,17)2/h9,14-16,18,21H,3-8,10H2,1-2H3/t14-,15+,16+,18-,19-/m1/s1
InChIKeyANCJITLNISKHLX-WHEVEAIOSA-N
MW286.41 g/mol
LogP3.80
Rot. Bonds

About (6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

(6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one (PubChem CID 15463283) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name(6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
PubChem CID15463283
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SMILESCC1=C2CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]2CC1
InChIInChI=1S/C19H26O2/c1-11-3-4-14-13(11)5-6-16-15(14)10-18(21)17-9-12(20)7-8-19(16,17)2/h9,14-16,18,21H,3-8,10H2,1-2H3/t14-,15+,16+,18-,19-/m1/s1
InChIKeyANCJITLNISKHLX-WHEVEAIOSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6R,8R,9S,13S,14S)-6-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 70987856
(6S,8S,9R,10R,13R,14R,15S)-6,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 124921694
(8R,9R,10R,13S,14S)-6,15-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 90913868
6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 20713795
(6R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 76973615
(4aR,4bR,6R,10aR,10bS,12aR)-6-hydroxy-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3H-naphtho[2,1-f]chromene-2,8-dione
CID 98495642
(6S,8R,9R,10R,13S,14R,17R)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 125035519
17-ethyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 20713714
17-ethenyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 18331115
(6R,10R,13S,17R)-17-ethynyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 59976849
17-ethenyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
CID 20713803
17-ethynyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
CID 18331119

Frequently Asked Questions

What is the IUPAC name of (6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one?
The IUPAC name of (6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one (CID 15463283) is (6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
What is the SMILES notation for (6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one?
The canonical SMILES for (6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one is CC1=C2CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]2CC1.
What is the InChIKey of (6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one?
The InChIKey is ANCJITLNISKHLX-WHEVEAIOSA-N. The full InChI is InChI=1S/C19H26O2/c1-11-3-4-14-13(11)5-6-16-15(14)10-18(21)17-9-12(20)7-8-19(16,17)2/h9,14-16,18,21H,3-8,10H2,1-2H3/t14-,15+,16+,18-,19-/m1/s1.
What are the key properties of (6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one?
(6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one has a molecular weight of 286.41 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,9S,10R,14S)-6-hydroxy-10,17-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 15463283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).