4α-carboxy-stigmasta-7,24(241)-dien-3β-ol,化合物成分

4α-carboxy-stigmasta-7,24(241)-dien-3β-ol

public_id

FDB030525

IUPAC 名称

(2S,5S,6S,15R)-5-hydroxy-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-ene-6-carboxylate

描述

4α-carboxy-stigmasta-7,24(241)-dien-3β-ol is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4α-carboxy-stigmasta-7,24(241)-dien-3β-ol can be found in a number of food items such as sorrel, blackcurrant, nutmeg, and purslane, which makes 4α-carboxy-stigmasta-7,24(241)-dien-3β-ol a potential biomarker for the consumption of these food products.

CAS号

异构

[H]\C(C)=C(/CC[C@@]([H])(C)C1([H])CCC2([H])C3=CCC4([H])[C@]([H])(C([O-])=O)[C@@]([H])(O)CC[C@]4(C)C3([H])CC[C@]12C)C(C)C

InChI标识符

InChI=1S/C30H48O3/c1-7-20(18(2)3)9-8-19(4)22-12-13-23-21-10-11-25-27(28(32)33)26(31)15-17-30(25,6)24(21)14-16-29(22,23)5/h7,10,18-19,22-27,31H,8-9,11-17H2,1-6H3,(H,32,33)/p-1/b20-7-/t19-,22?,23?,24?,25?,26+,27+,29-,30-/m1/s1

键

PLFNGFVQAIAQFS-GORJCXOYSA-M

平均分子量

455.353068953

id

30688

含有化合物的食物

食物id	食物名称
137	Anise
1	Angelica
445	American pokeweed
192	American cranberry
319	American butterfish
289	Amaranth
412	Alpine sweetvetch
148	Almond
288	Allspice
5	Allium
287	Alfalfa
551	Alaska wild rhubarb
385	Alaska blueberry
577	Agave
285	Agar
198	Adzuki bean
283	Acorn
282	Acerola
281	Abiyuch
280	Abalone