| SpectraBase Compound ID | 78mCbzxYST9 |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-13-11-23-12-15(13)16(28-14(2)24)9-18(23)21(3)7-6-8-22(4,20(26)27-5)17(21)10-19(23)25/h11,15-19,25H,6-10,12H2,1-5H3/t15-,16+,17+,18+,19-,21-,22-,23+/m1/s1 |
| InChIKey | FFEDTPXWBKQTGX-BPEWGCAGSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8p8Efc3traL |
|---|---|
| Name | Methyl ent-12.beta.-acetoxy-7.beta.-hydroxykaur-15-en-19-oate |
| Appearance | Colorless prisms |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O5 |
| InChI | InChI=1S/C23H34O5/c1-13-11-23-12-15(13)16(28-14(2)24)9-18(23)21(3)7-6-8-22(4,20(26)27-5)17(21)10-19(23)25/h11,15-19,25H,6-10,12H2,1-5H3/t15-,16+,17+,18+,19-,21-,22-,23+/m1/s1 |
| InChIKey | FFEDTPXWBKQTGX-BPEWGCAGSA-N |
| Instrument Name | Hewlett-Packard 5973 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np030490j |
| Molecular Weight | 390.520 g/mol |
| Optical Rotation | [a]D18 = -14.8 (c = 0.446, CHCl3) |
| SMILES | O[C@@]1(C[C@]2([C@@](CCC[C@@]2(C)C(OC)=O)([C@]2([C@]11C[C@@]([C@](C2)(OC(C)=O)[H])(C(=C1)C)[H])[H])C)[H])[H] |
| SPLASH | splash10-0596-1911000000-6065633e74dda4f4cd4a |
| Source of Spectrum | G4-67-619-13 |
| Wiley ID | 1881739 |