DTXSID10963218

3-[(5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

CAS: 4442-17-5

Molecular Formula	`C23H32O5`
Molecular Weight	388.5 g/mol
LogP	0.7
Topological Polar Surface Area	83.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	388.22498
Heavy Atoms	28
Complexity	758.0

Chemical Identifiers

CAS Number	4442-17-5
SMILES	`CC12CCC(=O)CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O`
InChIKey	`POWMMMXVDBMFMP-IYGQVCONSA-N`

📖 Product Overview

DTXSID10963218 (CAS: 4442-17-5) is a chemical compound with molecular formula C23H32O5 and molecular weight 388.5 g/mol. Its IUPAC systematic name is 3-[(5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. LogP 0.7 Topological Polar Surface Area 83.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 388.22498 Heavy Atoms 28 Complexity 758.0 InChI Key: POWMMMXVDBMFMP-IYGQVCONSA-N. SMILES: CC12CCC(=O)CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O.

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