3beta-Methoxy-2,3-dihydrowithaferin A

6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one

Also Known As: Quresimin A|2,3-Dihydro-3-methoxywithaferin A|3beta-Methoxy-2,3-dihydrowithaferin A|DIHYDROWITHAFERIN-A,3-|3-Methoxy-2,3-dihydrowithaferin-A|3beta-Methoxy-2,3-dihydrowithaferinA|6-Hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one|4,27-Dihydroxy-3-methoxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione|6-hydroxy-15-{1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl}-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0(2),?.0?,?.0(1)(2),(1)?]octadecan-3-one

Molecular Formula	C29H42O7
Molecular Weight	502.29306 g/mol
LogP	3.4
Topological Polar Surface Area	106.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	502.29306
Monoisotopic Mass	502.29306
Heavy Atoms	36
Complexity	1010.0

Chemical Identifiers

CAS Number	21902-96-5
SMILES	CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)CC(C6O)OC)C)O5)C)CO
InChIKey	MKTMIPAPOLDOQT-UHFFFAOYSA-N