daturadiol

Chemical Formula:

C₃₀H₅₀O₂

Molecular Weight:

442.724 Daltons

Monoisotopic Mass:

442.724 Daltons

InChI:

1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22+,23-,24-,27+,28+,29+,30+/m0/s1

InChIKey:

JYNBNJRQZZSLPN-NYVWVNPOSA-N

Synonyms

6β-hydroxy-β-amyrin
olean-12-ene-3β,6β-diol

Databases

KEGG: C21821

ChEBI: 138955

PubChem (CID): 3084830

MetaCyc: CPD-20244