Oleanolic acid base + O-HexA-Hex
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308912
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308912 contains the MS2 mass spectrum of Oleanolic acid base + O-HexA-Hex with the InChIkey BQPYEFAVIPEQIK-UHFFFAOYSA-N.
Source: Oleanolic acid base + O-HexA-Hex
Chemical Info
| InChI | InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52) |
|---|---|
| SMILES | O=C(O)C7OC(OC2CCC3(C)(C4CC=C1C5CC(C)(C)CCC5(C(=O)O)(CCC1(C)C4(C)(CCC3(C2(C)(C))))))C(O)C(OC6OC(CO)C(O)C(O)C6(O))C7(O) |
| InChI Key | BQPYEFAVIPEQIK-UHFFFAOYSA-N |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.976 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 | b3da20c4-2956-44a2-b8cd-16257a9f165f |
| Package id | msbnk-riken-pr308912 |
| Resource type | HTML |
| State | active |