Compound C28H40O3

[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-cyclooctylacetate

CAS: 66791-46-6

Molecular Formula	`C28H40O3`
Molecular Weight	424.6 g/mol
LogP	8.3
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	424.29776
Heavy Atoms	31
Complexity	624.0

Chemical Identifiers

CAS Number	66791-46-6
SMILES	`CC12CCC3C(C1CCC2OC(=O)CC4CCCCCCC4)CCC5=C3C=CC(=C5)O`
InChIKey	`CZCGBAHDFURTGU-VMBLQBCYSA-N`

📖 Product Overview

Compound C28H40O3 (CAS: 66791-46-6) is a chemical compound with molecular formula C28H40O3 and molecular weight 424.6 g/mol. Its IUPAC systematic name is [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-cyclooctylacetate. LogP 8.3 Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 424.29776 Heavy Atoms 31 Complexity 624.0 InChI Key: CZCGBAHDFURTGU-VMBLQBCYSA-N. SMILES: CC12CCC3C(C1CCC2OC(=O)CC4CCCCCCC4)CCC5=C3C=CC(=C5)O.

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