DTXSID90939956

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

CAS: 18531-44-7

Molecular Formula	`C29H44O10`
Molecular Weight	552.7 g/mol
LogP	-0.4
Topological Polar Surface Area	166.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	552.29346
Heavy Atoms	39
Complexity	1020.0

Chemical Identifiers

CAS Number	18531-44-7
SMILES	`CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O)OC6C(C(C(C(O6)CO)O)O)O`
InChIKey	`FECZMYDDHKVQIA-UGUGHJNJSA-N`

📖 Product Overview

DTXSID90939956 (CAS: 18531-44-7) is a chemical compound with molecular formula C29H44O10 and molecular weight 552.7 g/mol. Its IUPAC systematic name is 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. LogP -0.4 Topological Polar Surface Area 166.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 4 Exact Mass 552.29346 Heavy Atoms 39 Complexity 1020.0 InChI Key: FECZMYDDHKVQIA-UGUGHJNJSA-N. SMILES: CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O)OC6C(C(C(C(O6)CO)O)O)O.

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