Saikosaponin C
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308469
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308469 contains the MS2 mass spectrum of Saikosaponin C with the InChIkey PYJMYPPFWASOJX-UHFFFAOYSA-N.
Source: Saikosaponin C
Chemical Info
| InChI | InChI=1S/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3 |
|---|---|
| SMILES | CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3CCC4(C)C(CCC5(C)C4C=CC4=C6CC(C)(C)CCC6(CO)C(O)CC54C)C3(C)C)C(O)C2O)C(O)C(O)C1O |
| InChI Key | PYJMYPPFWASOJX-UHFFFAOYSA-N |
| Molecular Formula | C48H78O17 |
| Exact Mass | 927.135 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 | fc787855-8fd0-4cb6-9dc4-468e7d4404ea |
| Package id | msbnk-riken-pr308469 |
| Resource type | HTML |
| State | active |