beta-Toxicarol

(3S,12S)-22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),4,6,8,15,19,21-heptaen-2-one

Also Known As: beta-Toxicarol|b-toxicarol|KBio1_001269|10H-Bis(1)benzopyrano(3,4-b:6',7'-e)pyran-14(6H)-one, 6a,14a-dihydro-13-hydroxy-2,3-dimethoxy-10,10-dimethyl-, (6aS-cis)-|(6aS,14aS)-13-Hydroxy-2,3-dimethoxy-10,10-dimethyl-6a,14a-dihydro-10H-[1]benzopyrano[4',3':5,6]pyrano[3,2-g][1]benzopyran-14(6H)-one|13-Hydroxy-2,3-dimethoxy-10,10-dimethyl-6a,14a-dihydro-10H-[1]benzopyrano[4',3':5,6]pyrano[3,2-g][1]benzopyran-14(6H)-one

Molecular Formula	C23H22O7
Molecular Weight	410.13657 g/mol
LogP	3.71
Topological Polar Surface Area	83.45 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	410.13657
Heavy Atoms	30
Complexity	1099.5

Chemical Identifiers

CAS Number	82-11-1
SMILES	CC1(C=CC2=C(C3=C(C=C2O1)O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)O)C