TRIGONEOSIDE IA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H74O19
Molecular Weight	907.047
Optical Activity	UNSPECIFIED
Defined Stereocenters	27 / 27
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](O[C@]6([H])O[C@H](CO[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)C[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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)O2

InChI

InChIKey=TVNGRDSDHVARNR-RFLZHNRCSA-N

InChI=1S/C44H74O19/c1-18(15-57-40-37(54)34(51)32(49)28(14-45)61-40)7-10-44(56)19(2)30-27(63-44)12-23-21-6-5-20-11-26(24(46)13-43(20,4)22(21)8-9-42(23,30)3)60-41-38(55)35(52)33(50)29(62-41)17-59-39-36(53)31(48)25(47)16-58-39/h18-41,45-56H,5-17H2,1-4H3/t18-,19-,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	C44H74O19
Molecular Weight	907.047
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	26 / 27
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:20:07 UTC 2023` Edited by `admin` on `Sat Dec 16 11:20:07 UTC 2023`
Record UNII	X025ZML0R1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIGONEOSIDE IA

Common Name

English

TRIGONEOSIDE IA, (-)-

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDE, (2.ALPHA.,3.BETA.,5.ALPHA.,22.ALPHA.,25S)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,22-DIHYDROXYFUROSTAN-3-YL 6-O-.BETA.-D-XYLOPYRANOSYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

X025ZML0R1

Created by admin on Sat Dec 16 11:20:08 UTC 2023 , Edited by admin on Sat Dec 16 11:20:08 UTC 2023

PRIMARY

PUBCHEM

91864537

Created by admin on Sat Dec 16 11:20:08 UTC 2023 , Edited by admin on Sat Dec 16 11:20:08 UTC 2023

PRIMARY

CAS

187141-35-1

Created by admin on Sat Dec 16 11:20:08 UTC 2023 , Edited by admin on Sat Dec 16 11:20:08 UTC 2023

PRIMARY

Related Record Type Details


					654825W09Z

FENUGREEK SEED

PARENT -> CONSTITUENT ALWAYS PRESENT