5-methoxypodophyllotoxin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82443
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML82443 contains the MS mass spectrum of 5-methoxypodophyllotoxin with the InChIkey PDQAOYGENRRPQO-UXDKQJBESA-N.
Source: 5-methoxypodophyllotoxin
Chemical Info
| InChI | InChI=1S/C23H24O9/c1-26-13-5-10(6-14(27-2)20(13)28-3)16-11-7-15-21(32-9-31-15)22(29-4)18(11)19(24)12-8-30-23(25)17(12)16/h5-7,12,16-17,19,24H,8-9H2,1-4H3/t12-,16+,17-,19+/m0/s1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=C(C5=C(C=C24)OCO5)OC)O |
| InChI Key | PDQAOYGENRRPQO-UXDKQJBESA-N |
| Molecular Formula | C23H24O9 |
| Exact Mass | 444.142 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | ec46f3a2-3a68-418f-90f0-237269baded7 |
| Package id | msbnk-washington_state_univ-bml82443 |
| Resource type | HTML |
| State | active |