Hypaconitine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300562
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300562 contains the MS2 mass spectrum of Hypaconitine with the InChIkey FIDOCHXHMJHKRW-VHQVDBNASA-N.
Source: Hypaconitine
Chemical Info
| InChI | InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1 |
|---|---|
| SMILES | COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)C7=CC=CC=C7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]13)C4N(C)C2)[C@@H](O)[C@@H]6OC |
| InChI Key | FIDOCHXHMJHKRW-VHQVDBNASA-N |
| Molecular Formula | C33H45NO10 |
| Exact Mass | 615.720 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 | 1633b0d1-bdef-4a85-abef-c5fc178e2b3b |
| Package id | msbnk-riken-pr300562 |
| Resource type | HTML |
| State | active |