Go to resource

3-(Glucosyl(1-2) glucuronyl)-22-DDMP...

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001116

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001116 contains the MS2 mass spectrum of 3-(Glucosyl(1-2) glucuronyl)-22-DDMP Soyasapogenol B (NMR) with the InChIkey...

Source: 3-(Glucosyl(1-2) glucuronyl)-22-DDMP Soyasapogenol B (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C48H74O17/c1-22-32(52)25(51)17-31(60-22)62-30-19-43(2,3)18-24-23-9-10-28-45(5)13-12-29(46(6,21-50)27(45)11-14-48(28,8)47(23,7)16-15-44(24,30)4)63-42-39(36(56)35(55)38(64-42)40(58)59)65-41-37(57)34(54)33(53)26(20-49)61-41/h9,24,26-31,33-39,41-42,49-50,52-57H,10-21H2,1-8H3,(H,58,59)/t24-,26+,27?,28?,29-,30+,31+,33+,34-,35-,36-,37+,38-,39+,41-,42+,44+,45-,46+,47+,48+/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]6OC(=C(C(C6)=O)O)C)C)[H])C)C)C)(CO)C)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O)CO)O)O)C(O)=O
InChI Key	OJLGASCOGOIOJR-OASJHIPRSA-N
Molecular Formula	C48H74O17
Exact Mass	922.493 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	11d51084-ff7d-4a79-a0a4-e964a55b4d28
Package id	msbnk-bs-bs001116
Resource type	HTML
State	active