Compound C29H38N2O2S

(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

CAS: 97100-35-1

Molecular Formula	`C29H38N2O2S`
Molecular Weight	478.7 g/mol
LogP	6.0
Topological Polar Surface Area	93.6 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	478.2654
Heavy Atoms	34
Complexity	820.0

Chemical Identifiers

CAS Number	97100-35-1
SMILES	`CC1=CC=CC=C1NC2=NC(=CS2)C3(CCC4C3(CCC5C4CCC6=CC(CCC56C)O)C)O`
InChIKey	`HYUQNLQHFLWWPH-IYLGAXIPSA-N`

📖 Product Overview

Compound C29H38N2O2S (CAS: 97100-35-1) is a chemical compound with molecular formula C29H38N2O2S and molecular weight 478.7 g/mol. Its IUPAC systematic name is (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol. LogP 6.0 Topological Polar Surface Area 93.6 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 478.2654 Heavy Atoms 34 Complexity 820.0 InChI Key: HYUQNLQHFLWWPH-IYLGAXIPSA-N. SMILES: CC1=CC=CC=C1NC2=NC(=CS2)C3(CCC4C3(CCC5C4CCC6=CC(CCC56C)O)C)O.

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