ISOBACCHAROL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H40O10
Molecular Weight	548.6219
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@H]3O[C@]4([H])C=C(C)[C@H](O)C[C@]4(COC(=O)C[C@H](C)[C@@H](O)CO[C@]([H])(\C=C\C=CC(=O)O1)[C@H](C)O)[C@]2(C)[C@]35CO5

InChI

InChIKey=PYYBXMVTBWYBDY-RLRSATNQSA-N

InChI=1S/C29H40O10/c1-16-9-23-28(12-19(16)31)14-36-26(34)10-17(2)20(32)13-35-21(18(3)30)7-5-6-8-25(33)39-22-11-24(38-23)29(15-37-29)27(22,28)4/h5-9,17-24,30-32H,10-15H2,1-4H3/b7-5+,8-6-/t17-,18-,19+,20-,21+,22+,23+,24+,27+,28+,29-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ISOBACCHAROL

Common Name

English

BACCHARIN B2

Common Name

English

BACCHARINOID B 2

Common Name

English

VERRUCARIN A, 7'-DEOXO-2'-DEOXY-4',8-DIHYDROXY-7'-(1-HYDROXYETHYL)-, (4'R,7'R(S),8R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30420010

Created by admin on Sat Dec 16 11:59:30 GMT 2023 , Edited by admin on Sat Dec 16 11:59:30 GMT 2023

PRIMARY

PUBCHEM

46883114

Created by admin on Sat Dec 16 11:59:30 GMT 2023 , Edited by admin on Sat Dec 16 11:59:30 GMT 2023

PRIMARY

CAS

71748-64-6

Created by admin on Sat Dec 16 11:59:30 GMT 2023 , Edited by admin on Sat Dec 16 11:59:30 GMT 2023

PRIMARY

FDA UNII

J5315QE66D

Created by admin on Sat Dec 16 11:59:30 GMT 2023 , Edited by admin on Sat Dec 16 11:59:30 GMT 2023

PRIMARY

SUBSTANCE RECORD


					J5315QE66D

ISOBACCHAROL