BACCHARINOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38O11
Molecular Weight	562.6054
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O)[C@@H]1OC[C@H](O)[C@@]2(C)O[C@@H]2C(=O)OC[C@]34C[C@@H](O)C(C)=C[C@H]3O[C@@H]5C[C@@H](OC(=O)C=C\C=C\1)[C@@]4(C)[C@]56CO6

InChI

InChIKey=ZGOCMMMDEQOCDU-OIFNLFKASA-N

InChI=1S/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6-/t16-,17-,18-,19+,20-,21-,22-,24-,26-,27-,28-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H38O11
Molecular Weight	562.6054
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:25:46 GMT 2025` Edited by `admin` on `Tue Apr 01 16:25:46 GMT 2025`
Record UNII	EX5DO0C8JK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-269756

Preferred Name

English

BACCHARINOL

Common Name

English

BACCHARIN B4

Common Name

English

VERRUCARIN A, 7'-DEOXO-2'-DEOXY-2',3'-EPOXY-4',8-DIHYDROXY-7'-((1R)-1-HYDROXYETHYL)-, (2'S,3'R,4'S,7'R,8R)-

Systematic Name

English

BACCHARINOID B 4

Common Name

English

VERRUCARIN A, 7'-DEOXO-2'-DEOXY-2',3'-EPOXY-4',8-DIHYDROXY-7'-(1-HYDROXYETHYL)-, (2'S,3'R,4'S,7'R(R),8R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001109641