Compound C29H42O11

5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(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]phenanthrene-10-carbaldehyde

CAS: 1366-99-0

Molecular Formula	`C29H42O11`
Molecular Weight	566.6 g/mol
LogP	-1.8
Topological Polar Surface Area	183.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	566.2727
Heavy Atoms	40
Complexity	1080.0

Chemical Identifiers

CAS Number	1366-99-0
SMILES	`CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O`
InChIKey	`MFIXZHBJWSBQJA-UHFFFAOYSA-N`

📖 Product Overview

Compound C29H42O11 (CAS: 1366-99-0) is a chemical compound with molecular formula C29H42O11 and molecular weight 566.6 g/mol. Its IUPAC systematic name is 5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(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]phenanthrene-10-carbaldehyde. LogP -1.8 Topological Polar Surface Area 183.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 11 Rotatable Bonds 4 Exact Mass 566.2727 Heavy Atoms 40 Complexity 1080.0 InChI Key: MFIXZHBJWSBQJA-UHFFFAOYSA-N. SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O.

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