Go to resource

3-Glc-Gal-GlcUA-Soyasapogenol B

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003414

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003414 contains the MS2 mass spectrum of 3-Glc-Gal-GlcUA-Soyasapogenol B with the InChIkey WFRQIKSNAYYUJZ-BOZPSLMNSA-N.

Source: 3-Glc-Gal-GlcUA-Soyasapogenol B

Chemical Info

molecular Image

InChI	InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)/t22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,40+,41+,42?,44+,45-,46+,47+,48+/m0/s1
SMILES	C1[C@@H]([C@]([C@]2([C@](C1)([C@@]3([C@@](CC2)([C@]4(C(=CC3)[C@]5([C@@](CC4)([C@@H](CC(C5)(C)C)O)C)[H])C)C)[H])C)[H])(C)CO)OC6O[C@H]([C@@H]([C@H]([C@@H]6O[C@@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O[C@H]8O[C@H]([C@@H]([C@H]([C@@H]8O)O)O)CO)O)O)C(=O)O
InChI Key	WFRQIKSNAYYUJZ-BOZPSLMNSA-N
Molecular Formula	C48H78O19
Exact Mass	958.514 g/mol

There are no views created for this resource yet.

Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Id	f7712367-8ef4-4245-8a79-4f3bc4ff2b02
Package id	msbnk-bs-bs003414
Resource type	HTML
State	active