| SpectraBase Compound ID | 8WHim2qvsgG |
|---|---|
| InChI | InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3 |
| InChIKey | IAPHXJRHXBQDQJ-UHFFFAOYSA-N |
| Mol Weight | 351.4 g/mol |
| Molecular Formula | C18H25NO6 |
| Exact Mass | 351.168188 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CThxDiAqtmG |
|---|---|
| Name | Jacobine |
| CAS Registry Number | 6870-67-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H25NO6 |
| InChI | InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3 |
| InChIKey | IAPHXJRHXBQDQJ-UHFFFAOYSA-N |
| Molecular Weight | 351.399 g/mol |
| SMILES | OC1(C(=O)OCC2=CCN3C2C(OC(C2(C(C)O2)CC1C)=O)CC3)C |
| SPLASH | splash10-00dm-8900000000-8439bdd23753f8e068a1 |
| Source of Spectrum | W5-1989-38161-27375 |
| Synonyms | (15alpha,20R)15,20-epoxy-15,20-dihydro-12-hydroxy-senecionan-11,16-dione 15,20-Epoxy-15,20-dihydro-12-hydroxysenecionan-11,16-dione Senecionan-11,16-dione, 15,20-epoxy-15,20-dihydro-12-hydroxy-, (15-alpha,20S)- Senecionan-11,16-dione, 15,20-epoxy-15,20-dihydro-12-hydroxy-, (15alpha,20R)- BRN 0054580 CCRIS 5777 HSDB 3500 NSC 89936 |
| Wiley ID | 1342550 |