BACOSIDE A3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H76O18
Molecular Weight	929.0955
Optical Activity	UNSPECIFIED
Defined Stereocenters	25 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]9(O[C@@H]1[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC[C@]6([H])[C@]7([H])[C@]8(C[C@@]56CO8)O[C@H](C[C@]7(C)O)C=C(C)C)C3(C)C)O[C@@H](CO)[C@H](O)[C@H]9O

InChI

InChIKey=CDEVGTJBRPBOPH-INTDMYAHSA-N

InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,43-,44+,45-,46-,47-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H76O18
Molecular Weight	929.0955
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	24 / 25
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:32:09 GMT 2023` Edited by `admin` on `Sat Dec 16 08:32:09 GMT 2023`
Record UNII	1S862DJ73F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BACOSIDE A3

Common Name

English

BACOSIDE A3 [USP-RS]

Common Name

English

(3.BETA.,16.BETA.,17.ALPHA.,23R)-20-HYDROXY-16,23:16,30-DIEPOXYDAMMAR-24-EN-3-YL .ALPHA.-L-ARABINOFURANOSYL-(1->2)-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-.BETA.-D-GLUCOPYRANOSIDE

Systematic Name

English

BACOSIDE A3 (CONSTITUENT OF BACOPA) [DSC]

Common Name

English

Classification Tree Code System Code

DSLD

2558 (Number of products:6)