| SpectraBase Compound ID | 9IR03C4W6xU |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-22(2)12-10-13-23(3)14-11-15-24(4)26-16-17-28-31(26,8)20-18-27-30(6,7)29(34-25(5)33)19-21-32(27,28)9/h12,14,26-29H,4,10-11,13,15-21H2,1-3,5-9H3/b23-14+/t26-,27-,28+,29-,31+,32-/m0/s1 |
| InChIKey | CCHVSRIXEWDLRJ-PNQNUFRUSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C32H52O2 |
| Exact Mass | 468.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J6SM5udcRKu |
|---|---|
| Name | isomalabarica-14(27),17,21-trien-3.beta.-ol acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-22(2)12-10-13-23(3)14-11-15-24(4)26-16-17-28-31(26,8)20-18-27-30(6,7)29(34-25(5)33)19-21-32(27,28)9/h12,14,26-29H,4,10-11,13,15-21H2,1-3,5-9H3/b23-14+/t26-,27-,28+,29-,31+,32-/m0/s1 |
| InChIKey | CCHVSRIXEWDLRJ-PNQNUFRUSA-N |
| Instrument Name | JEOL SX 100 or JEOL JMS-Q1000 GC K9 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbic.201900314 |
| Molecular Weight | 468.766 g/mol |
| Reported Formula | C32H52O2 |
| SMILES | C[C@]12[C@]3([C@@](CC[C@@]2([H])C(C)(C)[C@@](OC(=O)C)(CC1)[H])(C)[C@](C(CC\C=C\(CCC=C(C)C)C)=C)(CC3)[H])[H] |
| SPLASH | splash10-014i-8920000000-8256a1f89549492639fe |
| Source of Spectrum | CBC-20-SM15-9-acetate |
| Wiley ID | 1838417 |