psi-Caudoside

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

CAS: 559-58-0

Molecular Formula	`C30H44O9`
Molecular Weight	548.7 g/mol
LogP	1.6
Topological Polar Surface Area	132.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	548.2985
Heavy Atoms	39
Complexity	1040.0

Chemical Identifiers

CAS Number	559-58-0
SMILES	`CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(=O)C(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O`
InChIKey	`NHHVCMQEIZXJDB-RSKCUQLVSA-N`

📖 Product Overview

psi-Caudoside (CAS: 559-58-0) is a chemical compound with molecular formula C30H44O9 and molecular weight 548.7 g/mol. Its IUPAC systematic name is 3-[(3S,5R,10S,12S,13S,14S,17R)-12,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. LogP 1.6 Topological Polar Surface Area 132.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 4 Exact Mass 548.2985 Heavy Atoms 39 Complexity 1040.0 InChI Key: NHHVCMQEIZXJDB-RSKCUQLVSA-N. SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(=O)C(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O.

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