Saikosaponin a
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307729
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307729 contains the MS2 mass spectrum of Saikosaponin a with the InChIkey KYWSCMDFVARMPN-UHFFFAOYSA-N.
Source: Saikosaponin a
Chemical Info
| InChI | InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3 |
|---|---|
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC36)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
| InChI Key | KYWSCMDFVARMPN-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 | bb09ee10-2d56-4151-b901-ab1384d8ac88 |
| Package id | msbnk-riken-pr307729 |
| Resource type | HTML |
| State | active |