BACCHARISOL

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@]12O[C@@H]3C[C@H]4OC(=O)C=C\C=C\[C@@]([H])(OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]1(C[C@@H](O)C(C)=C2)[C@]4(C)[C@]35CO5)[C@H](C)O

InChI

InChIKey=GVZIONLFUHXCGG-FNZSONIPSA-N

InChI=1S/C29H40O10/c1-16-9-10-35-20(18(3)30)7-5-6-8-24(32)39-21-12-23-29(15-37-29)27(21,4)28(14-36-26(34)25(16)33)13-19(31)17(2)11-22(28)38-23/h5-8,11,16,18-23,25,30-31,33H,9-10,12-15H2,1-4H3/b7-5+,8-6-/t16-,18+,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H40O10
Molecular Weight	548.6219
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:41:40 GMT 2023` Edited by `admin` on `Sat Dec 16 10:41:40 GMT 2023`
Record UNII	YNK989993G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BACCHARISOL

Common Name

English

VERRUCARIN A, 7'-DEOXO-8-HYDROXY-7'-(1-HYDROXYETHYL)-, (2'R,7'R(R),8R)-

Systematic Name

English

VERRUCARIN A, 7'-DEOXO-8-HYDROXY-7'-((1S)-1-HYDROXYETHYL)-, (2'R,7'R,8R)-

Systematic Name

English

BACCHARINOID B 7

Common Name

English

Code System Code Type Description

CAS

71718-23-5

Created by admin on Sat Dec 16 10:41:40 GMT 2023 , Edited by admin on Sat Dec 16 10:41:40 GMT 2023

PRIMARY

FDA UNII

YNK989993G

Created by admin on Sat Dec 16 10:41:40 GMT 2023 , Edited by admin on Sat Dec 16 10:41:40 GMT 2023

PRIMARY

PUBCHEM

117587580

Created by admin on Sat Dec 16 10:41:40 GMT 2023 , Edited by admin on Sat Dec 16 10:41:40 GMT 2023

PRIMARY