| SpectraBase Compound ID | KUKjtPxZ1JD |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-6-19(2)13-14-8-9-16-20(3,15(14)12-17(19)22)10-7-11-21(16,4)18(23)24-5/h6,8,15-17,22H,1,7,9-13H2,2-5H3/t15-,16?,17+,19+,20+,21+/m0/s1 |
| InChIKey | OLBJZJJCPIJGGV-FKFNPBDMSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1FnVeGdxQpH |
|---|---|
| Name | Methyl 12.beta.-hydroxysandaracopimarate |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-6-19(2)13-14-8-9-16-20(3,15(14)12-17(19)22)10-7-11-21(16,4)18(23)24-5/h6,8,15-17,22H,1,7,9-13H2,2-5H3/t15-,16?,17+,19+,20+,21+/m0/s1 |
| InChIKey | OLBJZJJCPIJGGV-FKFNPBDMSA-N |
| Instrument Name | Hewlett-Packard 5972A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0204949 |
| Molecular Weight | 332.484 g/mol |
| Optical Rotation | [a]D = +8.1 (c = 0.5, CHCl3) |
| Reported Formula | C21H32O3 |
| SMILES | O[C@@]1(C[C@]2(C(=CCC3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)C[C@]1(C=C)C)[H])[H] |
| SPLASH | splash10-0adl-9500000000-f5bd86a653565c948172 |
| Source of Spectrum | G4-66-849-7 |
| Wiley ID | 1881415 |