(8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione

C19H24O2 — CID 102428341

IUPAC(8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione
SMILESC[C@@]12CCC[C@H]1[C@@H]1C(=O)C=C3C=CC(=O)C[C@]3(C)[C@H]1CC2
InChIInChI=1S/C19H24O2/c1-18-8-3-4-14(18)17-15(7-9-18)19(2)11-13(20)6-5-12(19)10-16(17)21/h5-6,10,14-15,17H,3-4,7-9,11H2,1-2H3/t14-,15-,17-,18-,19-/m0/s1
InChIKeyZAUWQOQQNQBMBM-FQQAFBJJSA-N
MW284.40 g/mol
LogP3.86
Rot. Bonds

About (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione

(8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione (PubChem CID 102428341) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione.

Molecular Properties

Compound Name(8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione
PubChem CID102428341
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione
SMILESC[C@@]12CCC[C@H]1[C@@H]1C(=O)C=C3C=CC(=O)C[C@]3(C)[C@H]1CC2
InChIInChI=1S/C19H24O2/c1-18-8-3-4-14(18)17-15(7-9-18)19(2)11-13(20)6-5-12(19)10-16(17)21/h5-6,10,14-15,17H,3-4,7-9,11H2,1-2H3/t14-,15-,17-,18-,19-/m0/s1
InChIKeyZAUWQOQQNQBMBM-FQQAFBJJSA-N
XLogP3.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione?
The IUPAC name of (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione (CID 102428341) is (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione.
What is the SMILES notation for (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione?
The canonical SMILES for (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione is C[C@@]12CCC[C@H]1[C@@H]1C(=O)C=C3C=CC(=O)C[C@]3(C)[C@H]1CC2.
What is the InChIKey of (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione?
The InChIKey is ZAUWQOQQNQBMBM-FQQAFBJJSA-N. The full InChI is InChI=1S/C19H24O2/c1-18-8-3-4-14(18)17-15(7-9-18)19(2)11-13(20)6-5-12(19)10-16(17)21/h5-6,10,14-15,17H,3-4,7-9,11H2,1-2H3/t14-,15-,17-,18-,19-/m0/s1.
What are the key properties of (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione?
(8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione has a molecular weight of 284.40 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,10R,13S,14S)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,7-dione is sourced from PubChem (CID 102428341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).