Spirostane -2H, + 1O, O-Pen-dHex
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308969
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308969 contains the MS2 mass spectrum of Spirostane -2H, + 1O, O-Pen-dHex with the InChIkey SKHJNNFXCKTDBG-UHFFFAOYSA-N.
Source: Spirostane -2H, + 1O, O-Pen-dHex
Chemical Info
| InChI | InChI=1S/C38H60O12/c1-17-8-11-38(46-15-17)18(2)28-26(50-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)48-35-33(30(42)25(40)16-45-35)49-34-32(44)31(43)29(41)19(3)47-34/h6,17-19,21-35,39-44H,7-16H2,1-5H3 |
|---|---|
| SMILES | OC8CC5=CCC4C(CCC3(C)(C4(CC2OC1(OCC(C)CC1)C(C)C23)))C5(C)C(OC7OCC(O)C(O)C7(OC6OC(C)C(O)C(O)C6(O)))C8 |
| InChI Key | SKHJNNFXCKTDBG-UHFFFAOYSA-N |
| Molecular Formula | C38H60O12 |
| Exact Mass | 708.886 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 | 85f2ba12-2ab2-4332-a79f-962cce1e409d |
| Package id | msbnk-riken-pr308969 |
| Resource type | HTML |
| State | active |