| SpectraBase Compound ID | I3R9gmLw0Nc |
|---|---|
| InChI | InChI=1S/C26H34O3/c1-24-12-6-13-25(2,23(28)29-17-18-7-4-3-5-8-18)21(24)11-14-26-15-19(20(27)16-26)9-10-22(24)26/h3-5,7-8,19,21-22H,6,9-17H2,1-2H3/t19-,21-,22+,24+,25-,26+/m1/s1 |
| InChIKey | SIRNSEXGJWKQSN-PYBFXRCZSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C26H34O3 |
| Exact Mass | 394.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 652xLsKusde |
|---|---|
| Name | 16-demethylene-16-oxokaurenic acid benzyl ester dev. |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H34O3 |
| InChI | InChI=1S/C26H34O3/c1-24-12-6-13-25(2,23(28)29-17-18-7-4-3-5-8-18)21(24)11-14-26-15-19(20(27)16-26)9-10-22(24)26/h3-5,7-8,19,21-22H,6,9-17H2,1-2H3/t19-,21-,22+,24+,25-,26+/m1/s1 |
| InChIKey | SIRNSEXGJWKQSN-PYBFXRCZSA-N |
| Molecular Weight | 394.555 g/mol |
| SMILES | [C@@]123[C@]([C@@]4([C@@]([C@](C(OCc5ccccc5)=O)(CCC4)C)([H])CC2)C)(CC[C@](C1)(C(C3)=O)[H])[H] |
| SPLASH | splash10-052f-9222000000-51e7d804277d5cab1813 |
| Source of Spectrum | F2-46-1303-53 |
| Wiley ID | 1690270 |