DESRHAMNOSYLVERBASCOSAPONIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H78O17
Molecular Weight	927.1227
Optical Activity	UNSPECIFIED
Defined Stereocenters	25 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DESRHAMNOSYLVERBASCOSAPONIN

Structure Search

SMILES

[H][C@@]12CC(C)(C)CC[C@@]13CO[C@@]24C=C[C@]5([H])[C@@]6(C)CC[C@H](O[C@]7([H])O[C@H](C)[C@H](O)[C@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@]9([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@](C)(CO)[C@]6([H])CC[C@@]5(C)[C@]4(C)CC3

InChI

InChIKey=GIJQICBKLQJFPY-CSBHDFSNSA-N

InChI=1S/C48H78O17/c1-23-30(52)37(64-39-35(57)33(55)31(53)24(19-49)61-39)38(65-40-36(58)34(56)32(54)25(20-50)62-40)41(60-23)63-29-10-11-43(4)26(44(29,5)21-51)8-12-45(6)27(43)9-13-48-28-18-42(2,3)14-16-47(28,22-59-48)17-15-46(45,48)7/h9,13,23-41,49-58H,8,10-12,14-22H2,1-7H3/t23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39+,40+,41+,43+,44+,45-,46+,47-,48+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C48H78O17
Molecular Weight	927.1227
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:06:25 GMT 2023` Edited by `admin` on `Sat Dec 16 08:06:25 GMT 2023`
Record UNII	E8W7XS4JWX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESRHAMNOSYLVERBASCOSAPONIN

Common Name

English

.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,4.ALPHA.)-13,28-EPOXY-23-HYDROXYOLEAN-11-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-6-DEOXY-

Systematic Name

English

(2S,3R,4S,5S,6R)-2-((2R,3R,4S,5S,6R)-5-HYDROXY-2-(((1S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-9-(HYDROXYMETHYL)-4,5,9,13,20,20-HEXAMETHYL-24-OXAHEXACYCLO(15.5.2.01,18.04,17.05,14.08,13)TETRACOS-15-EN-10-YL)OXY)-6-METHYL-3-((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(

Systematic Name

English

(3.BETA.,4.ALPHA.)-13,28-EPOXY-23-HYDROXYOLEAN-11-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-6-DEOXY-.BETA.-D-GALACTOPYRANOSIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

102445401

Created by admin on Sat Dec 16 08:06:25 GMT 2023 , Edited by admin on Sat Dec 16 08:06:25 GMT 2023

PRIMARY

FDA UNII

E8W7XS4JWX

Created by admin on Sat Dec 16 08:06:25 GMT 2023 , Edited by admin on Sat Dec 16 08:06:25 GMT 2023

PRIMARY

CAS

186000-04-4

Created by admin on Sat Dec 16 08:06:25 GMT 2023 , Edited by admin on Sat Dec 16 08:06:25 GMT 2023

PRIMARY

Related Record Type Details


					E8W7XS4JWX

DESRHAMNOSYLVERBASCOSAPONIN

ACTIVE MOIETY