| SpectraBase Compound ID | KBfzp7f3cUs |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-20(2)21-10-13-25-30(7)17-14-22-23(29(30,6)18-19-31(21,25)26(32)33-8)11-12-24-27(3,4)15-9-16-28(22,24)5/h11,20-22,24-25H,9-10,12-19H2,1-8H3/t21-,22?,24?,25?,28-,29-,30+,31+/m1/s1 |
| InChIKey | VTRBDKSKHUCLCP-GKTHLWHLSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | j4qrzfuh6b |
|---|---|
| Name | Methyl Fern-7-en-28-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-20(2)21-10-13-25-30(7)17-14-22-23(29(30,6)18-19-31(21,25)26(32)33-8)11-12-24-27(3,4)15-9-16-28(22,24)5/h11,20-22,24-25H,9-10,12-19H2,1-8H3/t21-,22?,24?,25?,28-,29-,30+,31+/m1/s1 |
| InChIKey | VTRBDKSKHUCLCP-GKTHLWHLSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | [C@@]12([C@](C3CC[C@@]([C@]3(CC2)C(=O)OC)(C(C)C)[H])(CCC2[C@]3(CCCC(C3CC=C12)(C)C)C)C)C |
| SPLASH | splash10-002o-0042900000-bc3cbaa609dd87b48557 |
| Source of Spectrum | E1-40-1687-0 |
| Wiley ID | 1519587 |