2-(3,4-diacetyloxyphenyl)-4-oxo-7-[3,4,5-triace...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00107
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00107 contains the MS2 mass spectrum of 2-(3,4-diacetyloxyphenyl)-4-oxo-7-[3,4,5-triacetyloxy-6-(acetyloxymethyl)(2H-3...
Chemical Info
| InChI | InChI=1S/C35H34O18/c1-15(36)44-14-30-32(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(53-30)51-23-11-28(47-18(4)39)31-24(43)13-26(52-29(31)12-23)22-8-9-25(45-16(2)37)27(10-22)46-17(3)38/h8-13,30,32-35H,14H2,1-7H3 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI Key | JDAPIOVVXOAJOM-UHFFFAOYSA-N |
| Molecular Formula | C35H34O18 |
| Exact Mass | 742.175 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 | 856d97a7-4748-4e4d-acbe-08b85bc79284 |
| Package id | msbnk-washington_state_univ-bml00107 |
| Resource type | HTML |
| State | active |