Compound C40H50O4

(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

CAS: 37270-71-6

Molecular Formula	`C40H50O4`
Molecular Weight	594.8 g/mol
Topological Polar Surface Area	77.8 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	594.3709
Heavy Atoms	44
Complexity	1100.0

Chemical Identifiers

CAS Number	37270-71-6
SMILES	`CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O`
InChIKey	`NAPPWIFDUAHTRY-XYDRQXHOSA-N`

📖 Product Overview

Compound C40H50O4 (CAS: 37270-71-6) is a chemical compound with molecular formula C40H50O4 and molecular weight 594.8 g/mol. Its IUPAC systematic name is (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. Topological Polar Surface Area 77.8 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 594.3709 Heavy Atoms 44 Complexity 1100.0 InChI Key: NAPPWIFDUAHTRY-XYDRQXHOSA-N. SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O.

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