ST056296 Asarinin

Formula: C20H18O6

MW: 354.36

CAS: 133-04-0

MDL: MFCD01101561

TNP: TNP00112

LogP: 2.72

LogS: -4.13

Acceptors: 6

Donors: 0

Rotation Bonds: 0

Chiral Centers: 4

N+O: 6

LIPINSKY: 4

IUPAC: 5-(6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(6S,1R,2R,5R)-3,7-dioxabicyclo[3.3.0]oc t-2-yl)-2H-benzo[d]1,3-dioxolene

Smiles: C1C2C(C(O1)[c@@]1cc3c(cc1)OCO3)COC2[c@]1cc2c(cc1)OCO2

Merck 13 Reference: Monograph Number: 0000830

Title: Asarinin

CAS Registry Number: 133-04-0

CAS Name: [1R-(1a,3aa,4b,6aa)]-5,5

Chemical Compounds - Natural Compounds