Solasodine base + 2H, 1Acetyl, O-Hex, O-Hex-Hex-Hex-Pen
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308999
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308999 contains the MS2 mass spectrum of Solasodine base + 2H, 1Acetyl, O-Hex, O-Hex-Hex-Hex-Pen with the InChIkey...
Source: Solasodine base + 2H, 1Acetyl, O-Hex, O-Hex-Hex-Hex-Pen
Chemical Info
| InChI | InChI=1S/C58H95NO29/c1-21-36-30(88-58(21)35(79-22(2)64)11-23(14-59-58)19-77-51-44(73)40(69)38(67)31(15-60)81-51)13-28-26-6-5-24-12-25(7-9-56(24,3)27(26)8-10-57(28,36)4)80-53-46(75)42(71)48(33(17-62)83-53)86-55-50(87-54-45(74)41(70)39(68)32(16-61)82-54)47(76)49(34(18-63)84-55)85-52-43(72)37(66)29(65)20-78-52/h21,23-55,59-63,65-76H,5-20H2,1-4H3 |
|---|---|
| SMILES | CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11NCC(COC2OC(CO)C(O)C(O)C2O)CC1OC(C)=O |
| InChI Key | JNSUDLCASPZEHI-UHFFFAOYSA-N |
| Molecular Formula | C58H95NO29 |
| Exact Mass | 1270.376 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 | 5692222b-cce0-4065-a0b1-022c31f3d193 |
| Package id | msbnk-riken-pr308999 |
| Resource type | HTML |
| State | active |