Go to resource

3-Rha-Ara-GlcUA-Soyasapogenol B

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003406

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003406 contains the MS2 mass spectrum of 3-Rha-Ara-GlcUA-Soyasapogenol B with the InChIkey IBZLICPLPYSFNZ-NKWBMYJBSA-N.

Source: 3-Rha-Ara-GlcUA-Soyasapogenol B

Chemical Info

molecular Image

InChI	InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23+,24-,25-,26-,27-,28+,29-,30-,31+,32-,33-,34+,35-,36+,37+,39+,40-,41?,43-,44+,45-,46-,47-/m1/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](CO7)O)O)O[C@@H]8O[C@@H]([C@H]([C@@H]([C@@H]8O)O)O)C)O)O)C(=O)O
InChI Key	IBZLICPLPYSFNZ-NKWBMYJBSA-N
Molecular Formula	C47H76O17
Exact Mass	912.508 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	86227f34-dab7-4782-b688-e5109110d5c2
Package id	msbnk-bs-bs003406
Resource type	HTML
State	active