ZINGIBERENSIS SAPONIN I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H82O22
Molecular Weight	1047.1836
Optical Activity	UNSPECIFIED
Defined Stereocenters	31 / 31
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2)O[C@]7([H])O[C@H](CO)[C@@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]9([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7O[C@]%10([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O

InChI

InChIKey=XJOTXMLDNWCDRH-HAUZKCKMSA-N

InChI=1S/C51H82O22/c1-20-8-13-51(64-19-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)66-48-44(72-45-38(60)36(58)33(55)22(3)65-45)40(62)42(31(18-54)69-48)70-47-41(63)43(35(57)30(17-53)68-47)71-46-39(61)37(59)34(56)29(16-52)67-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40+,41-,42-,43+,44-,45+,46+,47+,48-,49+,50+,51-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C51H82O22
Molecular Weight	1047.1836
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	30 / 31
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:30:43 GMT 2023` Edited by `admin` on `Sat Dec 16 14:30:43 GMT 2023`
Record UNII	N7TJ111YCJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZINGIBERENSIS SAPONIN I

Common Name

English

ZINGIBERENIS NEWSAPONIN

Common Name

English

ZINGIBEREN NEWSAPONIN

Common Name

English

3-O-.BETA.-D-GLUCOPYRANOSYL(1->3)-.BETA.-D-GLUCOPYRANOSYL(1->4)-(.ALPHA.-L-RHAMNOPYRANOSYL(1->2))-.BETA.-D-GLUCOPYRANOSIDE-DIOSGENIN

Common Name

English

ZINGIBERENSIS NEWSAPONIN

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-SPIROST-5-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2))-

Systematic Name

English

Code System Code Type Description

FDA UNII

N7TJ111YCJ

Created by admin on Sat Dec 16 14:30:43 GMT 2023 , Edited by admin on Sat Dec 16 14:30:43 GMT 2023

PRIMARY

CAS

91653-50-8

Created by admin on Sat Dec 16 14:30:43 GMT 2023 , Edited by admin on Sat Dec 16 14:30:43 GMT 2023

PRIMARY

EPA CompTox

DTXSID00919608

Created by admin on Sat Dec 16 14:30:43 GMT 2023 , Edited by admin on Sat Dec 16 14:30:43 GMT 2023

PRIMARY

PUBCHEM

102475150

Created by admin on Sat Dec 16 14:30:43 GMT 2023 , Edited by admin on Sat Dec 16 14:30:43 GMT 2023

PRIMARY