| SpectraBase Compound ID | GFd2CE57dac |
|---|---|
| InChI | InChI=1S/C20H30O6/c1-12-10-13-11-18(5)15(23-18)20(21)14(16(2,3)25-26-20)6-7-17(4)8-9-19(12,22-13)24-17/h6,12-13,15,21H,7-11H2,1-5H3/b14-6-/t12-,13+,15-,17+,18+,19-,20?/m0/s1 |
| InChIKey | SKBWCOQBGXYLLJ-ZGUNUXANSA-N |
| Mol Weight | 366.45 g/mol |
| Molecular Formula | C20H30O6 |
| Exact Mass | 366.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ITEXMQrn3z8 |
|---|---|
| Name | Isochandonanthin |
| Alternate Name(s) | (6S,9S,10S,12R,13aR,14aS,Z)-3,3,6,10,13a-pentamethyl-5,6,7,8,10,11,12,13,13a,14a-decahydro-3H,14bH-6,9:9,12-diepoxyoxireno[2',3':13,14]cyclotetradeca[1,2-c][1,2]dioxol-14b-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O6 |
| InChI | InChI=1S/C20H30O6/c1-12-10-13-11-18(5)15(23-18)20(21)14(16(2,3)25-26-20)6-7-17(4)8-9-19(12,22-13)24-17/h6,12-13,15,21H,7-11H2,1-5H3/b14-6-/t12-,13+,15-,17+,18+,19-,20?/m0/s1 |
| InChIKey | SKBWCOQBGXYLLJ-ZGUNUXANSA-N |
| Literature Reference DOI | 10.1002/jccs.200200091 |
| Molecular Weight | 366.454 g/mol |
| SMILES | OC12[C@@]3([C@@](C[C@]4(C[C@@]([C@]5(O4)CC[C@@](C\C=C/1C(OO2)(C)C)(O5)C)(C)[H])[H])(O3)C)[H] |
| SPLASH | splash10-0a4j-9320000000-90fa97f333af66d07464 |
| Source of Spectrum | QA-49-598-19 |
| Wiley ID | 1795658 |