alpha-Chaconine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301378
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301378 contains the MS2 mass spectrum of alpha-Chaconine with the InChIkey TYNQWWGVEGFKRU-OHIAVPKISA-N.
Source: alpha-Chaconine
Chemical Info
| InChI | InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,42-,43+,44-,45-/m0/s1 |
|---|---|
| SMILES | C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O |
| InChI Key | TYNQWWGVEGFKRU-OHIAVPKISA-N |
| Molecular Formula | C45H73NO14 |
| Exact Mass | 852.072 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 | 34157fe3-d987-4b9c-9652-5ac022dd9daf |
| Package id | msbnk-riken-pr301378 |
| Resource type | HTML |
| State | active |