(7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol

C20H30O — CID 125464427

IUPAC(7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol
SMILESC[C@H]1C=C2C=CCC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
InChIInChI=1S/C20H30O/c1-13-12-14-6-4-5-10-19(14,2)16-9-11-20(3)15(18(13)16)7-8-17(20)21/h4,6,12-13,15-18,21H,5,7-11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKeyUSEHNAUCEPLHLX-VHUDCFPWSA-N
MW286.46 g/mol
LogP4.72
Rot. Bonds

About (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol

(7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol (PubChem CID 125464427) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol.

Molecular Properties

Compound Name(7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol
PubChem CID125464427
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol
SMILESC[C@H]1C=C2C=CCC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
InChIInChI=1S/C20H30O/c1-13-12-14-6-4-5-10-19(14,2)16-9-11-20(3)15(18(13)16)7-8-17(20)21/h4,6,12-13,15-18,21H,5,7-11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKeyUSEHNAUCEPLHLX-VHUDCFPWSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol with MolForge

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Related Compounds

(8R,9R,10R,13S,14S)-7,10,13-trimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,17-diol
CID 67055849
(7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 171394708
(3S,7S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol
CID 25108320
(2S,3S,7R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3,7,17-tetrol
CID 69250218
(2R,3R,7R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3,7,17-tetrol
CID 69250055
(3S,7R,8R,9S,10R,13S,14S,17S)-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol
CID 15231378
(3S,6R,10R,13S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4,6,7,17-pentol
CID 157107707
(5R,7S,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,17-diol
CID 67055732
(5R,7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,17-diol
CID 66708087
(7S,10R,13R,17S)-3,7,10,13,17-pentamethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 58770124
(2R,7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-2,7,10,13-tetramethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 54380979
1-(10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
CID 541030

Frequently Asked Questions

What is the IUPAC name of (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol?
The IUPAC name of (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol (CID 125464427) is (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol.
What is the SMILES notation for (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol?
The canonical SMILES for (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol is C[C@H]1C=C2C=CCC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12.
What is the InChIKey of (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol?
The InChIKey is USEHNAUCEPLHLX-VHUDCFPWSA-N. The full InChI is InChI=1S/C20H30O/c1-13-12-14-6-4-5-10-19(14,2)16-9-11-20(3)15(18(13)16)7-8-17(20)21/h4,6,12-13,15-18,21H,5,7-11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1.
What are the key properties of (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol?
(7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol has a molecular weight of 286.46 g/mol, XLogP of 4.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol is sourced from PubChem (CID 125464427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).