Bovosidol A

5-[(3S,5R,10R,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

CAS: 468-13-3

Molecular Formula	`C31H46O9`
Molecular Weight	562.7 g/mol
LogP	1.4
Topological Polar Surface Area	135.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	562.3142
Heavy Atoms	40
Complexity	1040.0

Chemical Identifiers

CAS Number	468-13-3
SMILES	`CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=COC(=O)C=C6)O)C)CO)O)OC)O`
InChIKey	`OXBRMYXRHPWEIC-MXGRDHLTSA-N`

📖 Product Overview

Bovosidol A (CAS: 468-13-3) is a chemical compound with molecular formula C31H46O9 and molecular weight 562.7 g/mol. Its IUPAC systematic name is 5-[(3S,5R,10R,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one. LogP 1.4 Topological Polar Surface Area 135.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 5 Exact Mass 562.3142 Heavy Atoms 40 Complexity 1040.0 InChI Key: OXBRMYXRHPWEIC-MXGRDHLTSA-N. SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=COC(=O)C=C6)O)C)CO)O)OC)O.

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