DTXSID10906827

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

CAS: 101915-06-4

Molecular Formula	`C26H44N2O4S`
Molecular Weight	480.7 g/mol
Topological Polar Surface Area	95.6 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	480.3022
Heavy Atoms	33
Complexity	716.0

Chemical Identifiers

CAS Number	101915-06-4
SMILES	`CCCCNC1=NC(=CS1)C2(CCC3C2(CCC4C3CCC5=CC(CCC45C)O)C)O.O.O`
InChIKey	`FVXUQCYMOHEQAI-OBDJZADISA-N`

📖 Product Overview

DTXSID10906827 (CAS: 101915-06-4) is a chemical compound with molecular formula C26H44N2O4S and molecular weight 480.7 g/mol. Its IUPAC systematic name is (3R,8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-1,3-thiazol-4-yl]-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol;dihydrate. Topological Polar Surface Area 95.6 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 480.3022 Heavy Atoms 33 Complexity 716.0 InChI Key: FVXUQCYMOHEQAI-OBDJZADISA-N. SMILES: CCCCNC1=NC(=CS1)C2(CCC3C2(CCC4C3CCC5=CC(CCC45C)O)C)O.O.O.

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