TRIGONEOSIDE IIA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H74O18
Molecular Weight	891.0476
Optical Activity	UNSPECIFIED
Defined Stereocenters	26 / 26
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@](O)(CC[C@H](C)CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O2)O[C@]7([H])O[C@H](CO[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=ISFAETRPBLFKQD-KTNFGKJSSA-N

InChI=1S/C44H74O18/c1-19(16-56-40-37(53)34(50)32(48)28(15-45)60-40)7-12-44(55)20(2)30-27(62-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)59-41-38(54)35(51)33(49)29(61-41)18-58-39-36(52)31(47)26(46)17-57-39/h19-41,45-55H,5-18H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41+,42-,43-,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H74O18
Molecular Weight	891.0476
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	25 / 26
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:56:20 UTC 2023` Edited by `admin` on `Sat Dec 16 10:56:20 UTC 2023`
Record UNII	35KP0AVB63
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIGONEOSIDE IIA

Common Name

English

TRIGONEOSIDE IIA, (-)-

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,5.BETA.,25S)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROSTAN-3-YL 6-O-.BETA.-D-XYLOPYRANOSYL-

Systematic Name

English

TRIGONEOSIDE IIA (CONSTITUENT OF FENUGREEK SEED) [DSC]

Common Name

English

Code System Code Type Description

FDA UNII

35KP0AVB63

Created by admin on Sat Dec 16 10:56:20 UTC 2023 , Edited by admin on Sat Dec 16 10:56:20 UTC 2023

PRIMARY

PUBCHEM

91864539

Created by admin on Sat Dec 16 10:56:20 UTC 2023 , Edited by admin on Sat Dec 16 10:56:20 UTC 2023

PRIMARY

CAS

187141-37-3

Created by admin on Sat Dec 16 10:56:20 UTC 2023 , Edited by admin on Sat Dec 16 10:56:20 UTC 2023

PRIMARY

Related Record Type Details


					654825W09Z

FENUGREEK SEED

PARENT -> CONSTITUENT ALWAYS PRESENT

Qualification:

USP