BACCHARIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38O11
Molecular Weight	562.6054
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]1(C)CC[C@@]34COC(=O)[C@H]5O[C@]5(C)[C@@H](O)CO[C@]([H])(\C=C\C=CC(=O)O[C@]6([H])C[C@@H](O[C@]23[H])[C@@]7(CO7)[C@@]46C)[C@@H](C)O

InChI

InChIKey=DGBITFNXKQHKLI-IGAMYEMLSA-N

InChI=1S/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16-,17+,18-,19-,21+,22-,23-,25-,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	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:03:24 GMT 2023` Edited by `admin` on `Sat Dec 16 11:03:24 GMT 2023`
Record UNII	C616DV5Y11
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BACCHARIN

Common Name

English

NSC-269757

Code

English

VERRUCARIN A, 7'-DEOXO-2'-DEOXY-2',3':9,10-DIEPOXY-9,10-DIHYDRO-4'-HYDROXY-7'-((1R)-1-HYDROXYETHYL)-, (2'S,3'R,4'S,7'R,9R,10S)-

Systematic Name

English

BACCHARIN B 5

Common Name

English

(2'S,3'R,4'S,7'R,9R,10S)-7'-DEOXO-2'-DEOXY-2',3':9,10-DIEPOXY-9,10-DIHYDRO-4'-HYDROXY-7'-((1R)-1-HYDROXYETHYL)VERRUCARIN A

Systematic Name

English

Code System Code Type Description

PUBCHEM

117587576