| SpectraBase Compound ID | BdO3eyOwSbr |
|---|---|
| InChI | InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h9-10,12,21-23,25-26,31H,1,11,13-19H2,2-8H3/b10-9+/t21-,22-,23?,25-,26-,28+,29-,30+/m0/s1 |
| InChIKey | KNPRYWISQCDFJD-CKRZKOATSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B12r1e5DGGu |
|---|---|
| Name | Tirucalla-7,23,25-trien-3??-ol |
| Appearance | White waxy solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h9-10,12,21-23,25-26,31H,1,11,13-19H2,2-8H3/b10-9+/t21-,22-,23?,25-,26-,28+,29-,30+/m0/s1 |
| InChIKey | KNPRYWISQCDFJD-CKRZKOATSA-N |
| Instrument Name | VG-Tribrid |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0002841 |
| Molecular Weight | 424.713 g/mol |
| Optical Rotation | [a]D20 = -13 (c = 0.2, CHCl3) |
| Reported Formula | C30H48O |
| SMILES | O[C@@]1(C([C@@]2(CC=C3C(CC[C@@]4([C@]3(C)CC[C@]4([C@@](C)(C\C=C\C(=C)C)[H])[H])C)[C@]2(CC1)C)[H])(C)C)[H] |
| SPLASH | splash10-0bt9-0008900000-d8c6b98992626d34f1e1 |
| Source of Spectrum | G4-64-162-11a |
| Wiley ID | 1882994 |