alpha-Chaconine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305094
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR305094 contains the MS2 mass spectrum of alpha-Chaconine with the InChIkey TYNQWWGVEGFKRU-UHFFFAOYSA-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 |
|---|---|
| SMILES | CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O |
| InChI Key | TYNQWWGVEGFKRU-UHFFFAOYSA-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 | 59709356-8d5b-4dbb-8a5a-8111dd5b5149 |
| Package id | msbnk-riken-pr305094 |
| Resource type | HTML |
| State | active |