(8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione

C19H26O2 — CID 54026593

IUPAC(8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione
SMILESC[C@]12CCCC(=O)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIInChI=1S/C19H26O2/c1-18-10-3-4-16(20)15(18)6-5-12-13-7-8-17(21)19(13,2)11-9-14(12)18/h6,12-14H,3-5,7-11H2,1-2H3/t12-,13-,14-,18+,19-/m0/s1
InChIKeyLCPOBMSQUCCYJO-IEVKOWOJSA-N
MW286.42 g/mol
LogP4.09
Rot. Bonds

About (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione

(8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione (PubChem CID 54026593) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione.

Molecular Properties

Compound Name(8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione
PubChem CID54026593
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione
SMILESC[C@]12CCCC(=O)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIInChI=1S/C19H26O2/c1-18-10-3-4-16(20)15(18)6-5-12-13-7-8-17(21)19(13,2)11-9-14(12)18/h6,12-14H,3-5,7-11H2,1-2H3/t12-,13-,14-,18+,19-/m0/s1
InChIKeyLCPOBMSQUCCYJO-IEVKOWOJSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione?
The IUPAC name of (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione (CID 54026593) is (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione.
What is the SMILES notation for (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione?
The canonical SMILES for (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione is C[C@]12CCCC(=O)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.
What is the InChIKey of (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione?
The InChIKey is LCPOBMSQUCCYJO-IEVKOWOJSA-N. The full InChI is InChI=1S/C19H26O2/c1-18-10-3-4-16(20)15(18)6-5-12-13-7-8-17(21)19(13,2)11-9-14(12)18/h6,12-14H,3-5,7-11H2,1-2H3/t12-,13-,14-,18+,19-/m0/s1.
What are the key properties of (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione?
(8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione has a molecular weight of 286.42 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-4,17-dione is sourced from PubChem (CID 54026593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).