Dataset

3-Ara-GlcUA Soyasapogenol B

This MassBank record with Accession MSBNK-BS-BS003868 contains the MS mass spectrum of 3-Ara-GlcUA Soyasapogenol B with the InChIkey LASVNNIDKPXXMG-JOBDLQHVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C41H66O13/c1-36(2)16-21-20-8-9-24-38(4)12-11-26(39(5,19-42)23(38)10-13-41(24,7)40(20,6)15-14-37(21,3)25(44)17-36)52-35-32(29(47)28(46)31(53-35)33(49)50)54-34-30(48)27(45)22(43)18-51-34/h8,21-32,34-35,42-48H,9-19H2,1-7H3,(H,49,50)/t21?,22-,23+,24?,25+,26-,27-,28-,29-,30+,31-,32+,34+,35+,37+,38-,39+,40+,41+/m0/s1
SMILES C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@@H]7[C@@H]([C@H]([C@H](CO7)O)O)O
InChI Key LASVNNIDKPXXMG-JOBDLQHVSA-N
Molecular Formula C41H66O13
Exact Mass 766.450 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003868
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:46.221651
MetadataModified 2024-01-11T12:35:46.384795
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15509198 PubChem: Thomson Pharma
10485315 PubChem
The data in this table is sourced from UniChem at EBI.