Etoposide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303933
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303933 contains the MS2 mass spectrum of Etoposide with the InChIkey VJJPUSNTGOMMGY-MRVIYFEKSA-N.
Source: Etoposide
Chemical Info
| InChI | InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1 |
|---|---|
| SMILES | COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12 |
| InChI Key | VJJPUSNTGOMMGY-MRVIYFEKSA-N |
| Molecular Formula | C29H32O13 |
| Exact Mass | 588.562 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 | 8276b808-f55b-4d38-9e31-41514ded96c3 |
| Package id | msbnk-riken-pr303933 |
| Resource type | HTML |
| State | active |