Compound C41H52O4

(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-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: 39366-37-5

Molecular Formula	`C41H52O4`
Molecular Weight	608.8 g/mol
Topological Polar Surface Area	77.8 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	608.38654
Heavy Atoms	45
Complexity	1110.0

Chemical Identifiers

CAS Number	39366-37-5
SMILES	`CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O`
InChIKey	`ORKBYCQJWQBPFG-WOMZHKBXSA-N`

📖 Product Overview

Compound C41H52O4 (CAS: 39366-37-5) is a chemical compound with molecular formula C41H52O4 and molecular weight 608.8 g/mol. Its IUPAC systematic name is (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-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 3 Exact Mass 608.38654 Heavy Atoms 45 Complexity 1110.0 InChI Key: ORKBYCQJWQBPFG-WOMZHKBXSA-N. SMILES: CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O.

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