Compound C28H40O5

[(7R,8S,9S,10S,13S,14S,17R)-17-ethynyl-10-hydroperoxy-7,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] heptanoate

CAS: 93176-68-2

Molecular Formula	`C28H40O5`
Molecular Weight	456.6 g/mol
LogP	4.7
Topological Polar Surface Area	72.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	456.28757
Heavy Atoms	33
Complexity	867.0

Chemical Identifiers

CAS Number	93176-68-2
SMILES	`CCCCCCC(=O)OC1(CCC2C1(CCC3C2C(CC4=CC(=O)CCC34OO)C)C)C#C`
InChIKey	`MDIACHVOJQLAOR-ZYDGDJLBSA-N`

📖 Product Overview

Compound C28H40O5 (CAS: 93176-68-2) is a chemical compound with molecular formula C28H40O5 and molecular weight 456.6 g/mol. Its IUPAC systematic name is [(7R,8S,9S,10S,13S,14S,17R)-17-ethynyl-10-hydroperoxy-7,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] heptanoate. LogP 4.7 Topological Polar Surface Area 72.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 9 Exact Mass 456.28757 Heavy Atoms 33 Complexity 867.0 InChI Key: MDIACHVOJQLAOR-ZYDGDJLBSA-N. SMILES: CCCCCCC(=O)OC1(CCC2C1(CCC3C2C(CC4=CC(=O)CCC34OO)C)C)C#C.

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