Solasodine base + 2H, O-Hex-Hex-Hex-(C5H10O5)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310722
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR310722 contains the MS2 mass spectrum of Solasodine base + 2H, O-Hex-Hex-Hex-(C5H10O5) with the InChIkey VTANYFPAYZXUQR-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C50H85NO22/c1-20-7-12-50(51-15-20)21(2)32-29(73-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)67-45-40(64)37(61)41(31(18-54)69-45)70-47-43(66-19-28(56)34(58)33(57)27(55)16-52)42(35(59)30(17-53)68-47)71-46-39(63)36(60)38(62)44(65)72-46/h20-47,51-65H,5-19H2,1-4H3 |
|---|---|
| SMILES | CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(O)C(O)C(O)C4O)C3OCC(O)C(O)C(O)C(O)CO)C(O)C2O)OC11CCC(C)CN1 |
| InChI Key | VTANYFPAYZXUQR-UHFFFAOYSA-N |
| Molecular Formula | C50H85NO22 |
| Exact Mass | 1052.215 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 | 4b463cc0-e372-413c-a012-98fe23e5a713 |
| Package id | msbnk-riken-pr310722 |
| Resource type | HTML |
| State | active |