Analyte Name

Isorosmanol

CAS Number

93780-80-4

Molecular Formula

C20H26O5

Molecular Weight

346.42

Accurate Mass

346.18

SMILES

O=C1[C@@]23C=4C([C@]([C@H](O)[C@]2(C(C)(C)CCC3)[H])(O1)[H])=CC(C(C)C)=C(O)C4O

InChI

InChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3/t15-,16+,17-,20-/m0/s1

IUPAC

(4aR,9R,10R,10aS)-5,6,10-trihydroxy-7-isopropyl-1,1-dimethyl-1,3,4,9,10,10a-hexahydro-2H-9,4a-(epoxymethano)phenanthren-12-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat