PSEUDOBAPTIGENIN 7-RHAMNOGLUCOSIDE TRIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H30O14.3H2O
Molecular Weight	644.5752
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PSEUDOBAPTIGENIN 7-RHAMNOGLUCOSIDE TRIHYDRATE

Structure Search

SMILES

O.O.O.C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC6=C(OCO6)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=PMAQJISUAKGSOM-PHULQRBJSA-N

InChI=1S/C28H30O14.3H2O/c1-11-20(29)23(32)25(34)27(40-11)37-9-19-22(31)24(33)26(35)28(42-19)41-13-3-4-14-17(7-13)36-8-15(21(14)30)12-2-5-16-18(6-12)39-10-38-16;;;/h2-8,11,19-20,22-29,31-35H,9-10H2,1H3;3*1H2/t11-,19+,20-,22+,23+,24-,25+,26+,27+,28+;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C28H30O14
Molecular Weight	590.5294
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:29:22 GMT 2025` Edited by `admin` on `Mon Mar 31 22:29:22 GMT 2025`
Record UNII	VGT0LNP7EM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PSEUDOBAPTIGENIN 7-RHAMNOGLUCOSIDE TRIHYDRATE

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 3-(1,3-BENZODIOXOL-5-YL)-7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-, TRIHYDRATE

Preferred Name

English

PSEUDOBAPTIGENIN 7-RHAMNOGLUCOSIDE TRIHYDRATE [MI]

Common Name

English

PSEUDOBAPTISIN

Common Name

English

Code System Code Type Description

FDA UNII

VGT0LNP7EM

Created by admin on Mon Mar 31 22:29:22 GMT 2025 , Edited by admin on Mon Mar 31 22:29:22 GMT 2025

PRIMARY

PUBCHEM

76956447

Created by admin on Mon Mar 31 22:29:22 GMT 2025 , Edited by admin on Mon Mar 31 22:29:22 GMT 2025

PRIMARY

MERCK INDEX

m9289

Created by admin on Mon Mar 31 22:29:22 GMT 2025 , Edited by admin on Mon Mar 31 22:29:22 GMT 2025

PRIMARY

Merck Index

Related Record Type Details


					652A9R3D47

PSEUDOBAPTIGENIN 7-RHAMNOGLUCOSIDE

ANHYDROUS->SOLVATE