public_id

FDB005460

IUPAC 名称

4,4,6a,6b,8a,11,14b-heptamethyl-12-methylidene-docosahydropicen-3-yl acetate

描述

Calotropenol acetate is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Calotropenol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Calotropenol acetate can be found in fig, which makes calotropenol acetate a potential biomarker for the consumption of this food product.

CAS号

异构

CC1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1=C

InChI标识符

InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h20,23-27H,2,10-19H2,1,3-9H3

键

OEKBQFGXHADTCO-UHFFFAOYSA-N

平均分子量

468.396730908

id

5461

含有化合物的食物

食物id	食物名称
81	Fig