Saikosaponin b2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307785
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307785 contains the MS2 mass spectrum of Saikosaponin b2 with the InChIkey WRYJYFCCMSVEPQ-UHFFFAOYSA-N.
Source: Saikosaponin b2
Chemical Info
| 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 |
|---|---|
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)C(O)CC43C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
| InChI Key | WRYJYFCCMSVEPQ-UHFFFAOYSA-N |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.993 g/mol |
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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 | 1b479690-bfe7-4aa9-8d27-a0944f710aca |
| Package id | msbnk-riken-pr307785 |
| Resource type | HTML |
| State | active |