DTXSID90935332

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

CAS: 15596-26-6

Molecular Formula	`C28H40O10`
Molecular Weight	536.6 g/mol
LogP	-0.9
Topological Polar Surface Area	163.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	536.26215
Heavy Atoms	38
Complexity	1020.0

Chemical Identifiers

CAS Number	15596-26-6
SMILES	`CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC6C(C(C(CO6)O)O)O)C=O)O`
InChIKey	`XMNREHIXCIWCGI-IOELUSJZSA-N`

📖 Product Overview

DTXSID90935332 (CAS: 15596-26-6) is a chemical compound with molecular formula C28H40O10 and molecular weight 536.6 g/mol. Its IUPAC systematic name is (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde. LogP -0.9 Topological Polar Surface Area 163.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 10 Rotatable Bonds 4 Exact Mass 536.26215 Heavy Atoms 38 Complexity 1020.0 InChI Key: XMNREHIXCIWCGI-IOELUSJZSA-N. SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC6C(C(C(CO6)O)O)O)C=O)O.

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