turkesterone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-NGA03387
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA03387 contains the MS2 mass spectrum of turkesterone with the InChIkey WSBAGDDNVWTLOM-ULTQMYNUSA-N.
Source: turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
Chemical Info
| InChI | InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14?,17?,18?,19-,20?,21+,22?,24+,25-,26-,27-/m1/s1 |
|---|---|
| SMILES | CC(C)(O)CC[C@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)C[C@]4(C)C3[C@H](O)C[C@]12C |
| InChI Key | WSBAGDDNVWTLOM-ULTQMYNUSA-N |
| Exact Mass | 496.647 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 4.0 International (CC BY 4.0) |
| Id | c58c09d7-0ef9-4b6d-9cd9-2887e1e77585 |
| Package id | msbnk-riken_npdepo-nga03387 |
| Resource type | HTML |
| State | active |