Compound C29H44O11

3-[(3S,5S,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-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: 102280-99-9

Molecular Formula	`C29H44O11`
Molecular Weight	568.7 g/mol
LogP	-1.8
Topological Polar Surface Area	186.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	568.2884
Heavy Atoms	40
Complexity	1050.0

Chemical Identifiers

CAS Number	102280-99-9
SMILES	`CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)CO)O)O)O`
InChIKey	`KYNXIMRHBXPXLL-IXMYJFJASA-N`

📖 Product Overview

Compound C29H44O11 (CAS: 102280-99-9) is a chemical compound with molecular formula C29H44O11 and molecular weight 568.7 g/mol. Its IUPAC systematic name is 3-[(3S,5S,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-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 -1.8 Topological Polar Surface Area 186.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 11 Rotatable Bonds 4 Exact Mass 568.2884 Heavy Atoms 40 Complexity 1050.0 InChI Key: KYNXIMRHBXPXLL-IXMYJFJASA-N. SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)CO)O)O)O.

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