Teniposide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002626
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002626 contains the MS mass spectrum of Teniposide with the InChIkey NRUKOCRGYNPUPR-QBPJDGROSA-N.
Source: Teniposide
Chemical Info
| InChI | InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1 |
|---|---|
| SMILES | C(C([H])54)(c(c(C(OC(C8O)(OC([H])(C7([H])C(O)8)COC(O7)c(c6)scc6)[H])C4(COC5=O)[H])3)cc(c2c3)OCO2)c(c1)cc(OC)c(c1OC)O |
| InChI Key | NRUKOCRGYNPUPR-QBPJDGROSA-N |
| Molecular Formula | C32H32O13S |
| Exact Mass | 656.156 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 4.0 International (CC BY-NC 4.0) |
| Id | 1b4d977f-7e6b-43dd-a005-917f93fc1a20 |
| Package id | msbnk-waters-wa002626 |
| Resource type | HTML |
| State | active |