Go to resource

Saikosaponin b2

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303870

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR303870 contains the MS2 mass spectrum of Saikosaponin b2 with the InChIkey WRYJYFCCMSVEPQ-ORAXXRKOSA-N.

Source: Saikosaponin b2

Chemical Info

molecular Image

InChI	InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1
SMILES	C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@@]43C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChI Key	WRYJYFCCMSVEPQ-ORAXXRKOSA-N
Molecular Formula	C42H68O13
Exact Mass	780.993 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	5f79e7f8-b923-4988-9352-1c76d9b970ab
Package id	msbnk-riken-pr303870
Resource type	HTML
State	active