Acutissimin B,化合物成分

Acutissimin B

public_id

FDB006723

IUPAC 名称

(46R)-46-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5(10),6,8,11,13,15,23,25,27,29,31,33(45),34,36,38-pentadecaene-4,17,22,40,44-pentone

描述

Acutissimin b is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Acutissimin b can be found in guava, which makes acutissimin b a potential biomarker for the consumption of this food product.

CAS号

异构

[H][C@]1(C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C3C(=C(O)C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)OC1COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC1C2OC3=O)C1=C(O)C2=C(O[C@@H]([C@@H](O)C2)C2=CC=C(O)C(O)=C2)C=C1O

InChI标识符

InChI=1S/C56H38O31/c57-15-2-1-10(3-16(15)58)48-21(63)4-11-22(83-48)8-17(59)27(35(11)64)32-31-34-30(44(73)47(76)45(31)74)29-33-28(42(71)46(75)43(29)72)26-14(7-20(62)38(67)41(26)70)53(78)84-23-9-82-52(77)12-5-18(60)36(65)39(68)24(12)25-13(6-19(61)37(66)40(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,21,23,32,48-51,57-76H,4,9H2/t21-,23?,32-,48+,49?,50?,51?/m0/s1

键

IGVSILAHFPDUTO-BSBPBZKASA-N

平均分子量

1206.139704498

id

6724

含有化合物的食物