Go to resource

3-Glu(1-2)GluA Soyasapogenol B (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001124

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001124 contains the MS mass spectrum of 3-Glu(1-2)GluA Soyasapogenol B (NMR) with the InChIkey OKIHRVKXRCAJFQ-OFOMSTTESA-N.

Source: 3-Glu(1-2)GluA Soyasapogenol B (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23?,24?,25+,26-,27+,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
SMILES	C1[C@@H]([C@@](C2[C@](C1)(C3[C@@](CC2)([C@]4(C(=CC3)[C@]5([C@@](CC4)([C@@H](CC(C5)(C)C)O)C)[H])C)C)C)(CO)C)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)O)O)C(O)=O
InChI Key	OKIHRVKXRCAJFQ-OFOMSTTESA-N
Molecular Formula	C42H68O14
Exact Mass	796.461 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	261b36be-fffa-4f6a-b292-e0e7e75d0fb7
Package id	msbnk-bs-bs001124
Resource type	HTML
State	active