BACOPASIDE X

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H74O17
Molecular Weight	899.0696
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
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)CO[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=RANQPHKSRUUPKK-GPUGMLHBSA-N

InChI=1S/C46H74O17/c1-21(2)14-22-15-44(7,55)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,63-22)57-20-45)60-40-36(62-38-33(53)31(51)26(17-48)59-38)35(24(49)18-56-40)61-39-34(54)32(52)30(50)25(16-47)58-39/h14,22-40,47-55H,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-,42-,43+,44-,45-,46-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C46H74O17
Molecular Weight	899.0696
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	23 / 24
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:30:35 GMT 2023` Edited by `admin` on `Sat Dec 16 08:30:35 GMT 2023`
Record UNII	P1040545PX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BACOPASIDE X

Common Name

English

JUJUBOGENIN ISOMER OF BACOPASAPONIN C (BACOPASIDE X) (CONSTITUENT OF BACOPA) [DSC]

Common Name

English

BACOPASIDE X, (-)-

Common Name

English

Code System Code Type Description

PUBCHEM

10629555

Created by admin on Sat Dec 16 08:30:35 GMT 2023 , Edited by admin on Sat Dec 16 08:30:35 GMT 2023

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EPA CompTox

DTXSID00442623

Created by admin on Sat Dec 16 08:30:35 GMT 2023 , Edited by admin on Sat Dec 16 08:30:35 GMT 2023

PRIMARY

CAS

94443-88-6

Created by admin on Sat Dec 16 08:30:35 GMT 2023 , Edited by admin on Sat Dec 16 08:30:35 GMT 2023

PRIMARY

FDA UNII

P1040545PX

Created by admin on Sat Dec 16 08:30:35 GMT 2023 , Edited by admin on Sat Dec 16 08:30:35 GMT 2023

PRIMARY