BACCHARANOID B1

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-WDDWFXKOSA-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

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 13:05:52 GMT 2023` Edited by `admin` on `Sat Dec 16 13:05:52 GMT 2023`
Record UNII	Q4419ZF871
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BACCHARANOID B1

Common Name

English

BACCHARIN B1

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

BACCHAROL

Common Name

English

BACCHARINOID B 1

Common Name

English

Code System Code Type Description

PUBCHEM

46883113

Created by admin on Sat Dec 16 13:05:52 GMT 2023 , Edited by admin on Sat Dec 16 13:05:52 GMT 2023

PRIMARY

CAS

71695-69-7

Created by admin on Sat Dec 16 13:05:52 GMT 2023 , Edited by admin on Sat Dec 16 13:05:52 GMT 2023

PRIMARY

FDA UNII

Q4419ZF871

Created by admin on Sat Dec 16 13:05:52 GMT 2023 , Edited by admin on Sat Dec 16 13:05:52 GMT 2023

PRIMARY