iso-Roridine E
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000528
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000528 contains the MS2 mass spectrum of iso-Roridine E with the InChIkey KEEQQEKLEZRLDS-JULYGXFESA-N.
Source: iso-Roridine E
Chemical Info
| InChI | InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22+,23+,24+,27+,28+,29-/m0/s1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCO[C@@H](/C=C/C=C\C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)[C@H](C)O)\C |
| InChI Key | KEEQQEKLEZRLDS-JULYGXFESA-N |
| Molecular Formula | C29H38O8 |
| Exact Mass | 514.257 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 | 7d1f1f1c-1068-437d-95b8-dac8e7609e2d |
| Package id | msbnk-aafc-ac000528 |
| Resource type | HTML |
| State | active |