Soyasapogenol B base + O-HexA-pen-Hex, O-Hex
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308936
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308936 contains the MS2 mass spectrum of Soyasapogenol B base + O-HexA-pen-Hex, O-Hex with the InChIkey RCDRIURETSURJH-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C53H86O23/c1-48(2)16-23-22-8-9-28-50(4)12-11-29(51(5,21-56)27(50)10-13-53(28,7)52(22,6)15-14-49(23,3)17-30(48)73-44-38(65)31(58)24(57)20-69-44)72-47-42(37(64)36(63)40(74-47)43(67)68)76-46-41(35(62)33(60)26(19-55)71-46)75-45-39(66)34(61)32(59)25(18-54)70-45/h8,23-42,44-47,54-66H,9-21H2,1-7H3,(H,67,68) |
|---|---|
| SMILES | CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C)CC1OC1OCC(O)C(O)C1O |
| InChI Key | RCDRIURETSURJH-UHFFFAOYSA-N |
| Molecular Formula | C53H86O23 |
| Exact Mass | 1091.248 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 | 7f67a071-9e3a-46f7-96fc-20f12d6cfc40 |
| Package id | msbnk-riken-pr308936 |
| Resource type | HTML |
| State | active |