(8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione

C17H22O2 — CID 144685585

IUPAC(8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
SMILESO=C1C=C2CC[C@@H]3C4CC(=O)C[C@@H]4CCC3[C@@H]2CC1
InChIInChI=1S/C17H22O2/c18-12-3-6-14-10(7-12)1-5-16-15(14)4-2-11-8-13(19)9-17(11)16/h7,11,14-17H,1-6,8-9H2/t11-,14+,15?,16-,17?/m0/s1
InChIKeyRVPSRGZYYIRBET-FNIGDVQWSA-N
MW258.36 g/mol
LogP3.31
Rot. Bonds

About (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione

(8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione (PubChem CID 144685585) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione.

Molecular Properties

Compound Name(8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
PubChem CID144685585
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
SMILESO=C1C=C2CC[C@@H]3C4CC(=O)C[C@@H]4CCC3[C@@H]2CC1
InChIInChI=1S/C17H22O2/c18-12-3-6-14-10(7-12)1-5-16-15(14)4-2-11-8-13(19)9-17(11)16/h7,11,14-17H,1-6,8-9H2/t11-,14+,15?,16-,17?/m0/s1
InChIKeyRVPSRGZYYIRBET-FNIGDVQWSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione with MolForge

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Related Compounds

(17E)-17-ethylidene-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydrocyclopenta[a]phenanthrene-3,16-dione
CID 118550472
2,4,5,6,7,8,9,10,11,12,13,14,15,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
CID 90303644
carbanide;ethane;1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-id-3-one;tungsten(2+)
CID 176554573
(8S,9S,10R,13S,14S,17S)-17-(3-hydroxyprop-1-ynyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 57177214
13-methyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,16-dione
CID 162978922
(8R,9S,10R,13S,14S)-15-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 70893591
(8S,9R,10S,13R,14R)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 7213685
(8R,9R,10R,13S,14R)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 6545378
(8R,9S,10R,13R,14S,15S)-13-ethyl-15-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 142781968
(10R,13S)-13-methyl-17-methylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 54181393
(4bS)-7-propyl-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3H-phenanthren-2-one
CID 58650682
13-methyl-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 18459207

Frequently Asked Questions

What is the IUPAC name of (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione?
The IUPAC name of (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione (CID 144685585) is (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione.
What is the SMILES notation for (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione?
The canonical SMILES for (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione is O=C1C=C2CC[C@@H]3C4CC(=O)C[C@@H]4CCC3[C@@H]2CC1.
What is the InChIKey of (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione?
The InChIKey is RVPSRGZYYIRBET-FNIGDVQWSA-N. The full InChI is InChI=1S/C17H22O2/c18-12-3-6-14-10(7-12)1-5-16-15(14)4-2-11-8-13(19)9-17(11)16/h7,11,14-17H,1-6,8-9H2/t11-,14+,15?,16-,17?/m0/s1.
What are the key properties of (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione?
(8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione has a molecular weight of 258.36 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione is sourced from PubChem (CID 144685585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).