public_id

FDB005622

IUPAC 名称

(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,9-diol

描述

Soyasapogenol b-1, also known as 24-hydroxysophoradiol, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Soyasapogenol b-1 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Soyasapogenol b-1 can be synthesized from oleanane. Soyasapogenol b-1 is also a parent compound for other transformation products, including but not limited to, soyasapogenol B 3-O-beta-glucuronide, soyasaponin III, and soyasaponin I. Soyasapogenol b-1 can be found in soy bean, which makes soyasapogenol b-1 a potential biomarker for the consumption of this food product.

CAS号

595-15-3

异构

[H][C@]1(O)CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)C[C@@]([H])(O)[C@]4(C)CC[C@@]32C)[C@@]1(C)CO

InChI标识符

InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1

键

YOQAQNKGFOLRGT-UXXABWCISA-N

平均分子量

458.37599547

id

5623

含有化合物的食物

食物id	食物名称
236	Annual wild rice
137	Anise
1	Angelica
445	American pokeweed
192	American cranberry
289	Amaranth
412	Alpine sweetvetch
148	Almond
288	Allspice
5	Allium
287	Alfalfa
928	Albizia gummifera
551	Alaska wild rhubarb
385	Alaska blueberry
577	Agave
198	Adzuki bean
1004	Acorn squash
283	Acorn
282	Acerola
281	Abiyuch