(8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol

C23H40O3 — CID 57010963

IUPAC(8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol
SMILESCCC1C(CC)[C@H]2[C@@H]3CCC4(O)CC(O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1O
InChIInChI=1S/C23H40O3/c1-5-15-16(6-2)20(25)21(3)10-9-18-17(19(15)21)8-12-23(26)13-14(24)7-11-22(18,23)4/h14-20,24-26H,5-13H2,1-4H3/t14?,15?,16?,17-,18-,19+,20?,21+,22-,23?/m1/s1
InChIKeyFDKOPQTZSILWHU-PFLNLEHNSA-N
MW364.57 g/mol
LogP4.14
Rot. Bonds2

About (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol

(8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol (PubChem CID 57010963) has the molecular formula C23H40O3 and a molecular weight of 364.57 g/mol. Its IUPAC name is (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol.

Molecular Properties

Compound Name(8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol
PubChem CID57010963
Molecular FormulaC23H40O3
Molecular Weight364.57 g/mol
Exact Mass364.30
IUPAC Name(8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol
SMILESCCC1C(CC)[C@H]2[C@@H]3CCC4(O)CC(O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1O
InChIInChI=1S/C23H40O3/c1-5-15-16(6-2)20(25)21(3)10-9-18-17(19(15)21)8-12-23(26)13-14(24)7-11-22(18,23)4/h14-20,24-26H,5-13H2,1-4H3/t14?,15?,16?,17-,18-,19+,20?,21+,22-,23?/m1/s1
InChIKeyFDKOPQTZSILWHU-PFLNLEHNSA-N
XLogP4.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8S,9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol
CID 57056342
(3S,5R,10R,13S,17S)-10,13,17-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5,17-triol
CID 171976768
(1R,2R,3S,6S,7R,8S,11S,12R,15S,17S)-7-(3-hydroxypropyl)-8,12-dimethylpentacyclo[9.8.0.02,8.03,6.012,17]nonadecane-7,15,17-triol
CID 70375488
(3S,5R,8S,9S,10R,13R,14S)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthrene-3,5-diol
CID 12020354
(3S,10R,13R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
CID 129270470
(3S,5R,6R,8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
CID 141261163
(3R,5R,8S,9R,10R,11R,13S,14R,17R)-17-[(1S)-1-hydroxyethyl]-5,10,13-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
CID 124916537
(8S,9S,10S,13S,14S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
CID 57375778
(3S,8S,9S,10R,13R,14S,17S)-5,6-dibromo-17-ethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 154349572
(3R,5R,8R,9S,10R,13R,14R,17R)-17-[(1S)-1-hydroxyethyl]-5,10,13-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 124916826
(3S,5S,8R,9S,10R,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-5,10,13-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 99566382
(3R,5S,8R,9S,10R,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-5,10,13-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 99566264

Frequently Asked Questions

What is the IUPAC name of (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol?
The IUPAC name of (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol (CID 57010963) is (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol.
What is the SMILES notation for (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol?
The canonical SMILES for (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol is CCC1C(CC)[C@H]2[C@@H]3CCC4(O)CC(O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1O.
What is the InChIKey of (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol?
The InChIKey is FDKOPQTZSILWHU-PFLNLEHNSA-N. The full InChI is InChI=1S/C23H40O3/c1-5-15-16(6-2)20(25)21(3)10-9-18-17(19(15)21)8-12-23(26)13-14(24)7-11-22(18,23)4/h14-20,24-26H,5-13H2,1-4H3/t14?,15?,16?,17-,18-,19+,20?,21+,22-,23?/m1/s1.
What are the key properties of (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol?
(8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol has a molecular weight of 364.57 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R,10R,13S,14R)-15,16-diethyl-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,17-triol is sourced from PubChem (CID 57010963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).