(8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

C23H41NO — CID 22296426

IUPAC(8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESCC[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)C(N(C)C)C[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C23H41NO/c1-6-15-8-10-18-17-9-7-16-13-21(25)20(24(4)5)14-23(16,3)19(17)11-12-22(15,18)2/h15-21,25H,6-14H2,1-5H3/t15-,16?,17-,18-,19-,20?,21?,22+,23-/m0/s1
InChIKeyLOCVOOBTHLOFLD-ZMGFYPLPSA-N
MW347.59 g/mol
LogP4.96
Rot. Bonds2

About (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

(8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 22296426) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID22296426
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name(8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESCC[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)C(N(C)C)C[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C23H41NO/c1-6-15-8-10-18-17-9-7-16-13-21(25)20(24(4)5)14-23(16,3)19(17)11-12-22(15,18)2/h15-21,25H,6-14H2,1-5H3/t15-,16?,17-,18-,19-,20?,21?,22+,23-/m0/s1
InChIKeyLOCVOOBTHLOFLD-ZMGFYPLPSA-N
XLogP4.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol with MolForge

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Related Compounds

(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-ol
CID 57274576
(3S,10S,13R,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 11630869
(3R,5S,8S,9R,10S,13R,14R,17R)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 125027754
2-(dimethylamino)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 567087
(3S,5S,8S,9S,10S,13R,14S,17S)-17-ethyl-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,3-diol
CID 68519842
(8S,9R,10S,13R,14S,17S)-17-ethyl-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 173313669
(3S,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3-carboxamide
CID 54399102
(3R,8S,9S,10S,11S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
CID 154243881
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diamine
CID 91395456
acetic acid;(3R,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 21128473
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;hydrate
CID 174872593
[(3R,5R,10S,13R,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 91750607

Frequently Asked Questions

What is the IUPAC name of (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
The IUPAC name of (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 22296426) is (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol is CC[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)C(N(C)C)C[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is LOCVOOBTHLOFLD-ZMGFYPLPSA-N. The full InChI is InChI=1S/C23H41NO/c1-6-15-8-10-18-17-9-7-16-13-21(25)20(24(4)5)14-23(16,3)19(17)11-12-22(15,18)2/h15-21,25H,6-14H2,1-5H3/t15-,16?,17-,18-,19-,20?,21?,22+,23-/m0/s1.
What are the key properties of (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
(8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 347.59 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,10S,13R,14S,17S)-2-(dimethylamino)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 22296426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).