| SpectraBase Compound ID | 6O0AgrGjA4m |
|---|---|
| InChI | InChI=1S/C24H36O9/c1-8-9-10-18(29-16(5)25)11-12-19(27)31-20-13(2)21-24(7,33-15(20)4)22(30-17(6)26)14(3)23(28)32-21/h11-15,18,20-22H,8-10H2,1-7H3/b12-11+/t13-,14-,15+,18+,20-,21+,22+,24+/m1/s1 |
| InChIKey | KVLRCXOYSZXNBQ-PJLVMRBISA-N |
| Mol Weight | 468.5 g/mol |
| Molecular Formula | C24H36O9 |
| Exact Mass | 468.235933 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JXJw4B9gEdD |
|---|---|
| Name | Acetylbotcinin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H36O9 |
| InChI | InChI=1S/C24H36O9/c1-8-9-10-18(29-16(5)25)11-12-19(27)31-20-13(2)21-24(7,33-15(20)4)22(30-17(6)26)14(3)23(28)32-21/h11-15,18,20-22H,8-10H2,1-7H3/b12-11+/t13-,14-,15+,18+,20-,21+,22+,24+/m1/s1 |
| InChIKey | KVLRCXOYSZXNBQ-PJLVMRBISA-N |
| Instrument Name | JEOL AX505HA |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0503855 |
| Molecular Weight | 468.543 g/mol |
| SMILES | C1(O[C@@]2([C@@]([C@]([C@]1(C)[H])(OC(C)=O)[H])(O[C@]([C@@]([C@]2(C)[H])(OC(\C=C\[C@](CCCC)(OC(C)=O)[H])=O)[H])(C)[H])C)[H])=O |
| SPLASH | splash10-01bd-6930000000-83ca1b6c0e6952e1a40b |
| Source of Spectrum | G4-68-1770-Acetylbotcinin A |
| Wiley ID | 1879507 |