| SpectraBase Compound ID | 9IoLnjTktSb |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)21-12-17-30(8)26-22(13-16-29(21,30)7)28(6)15-14-25(32)27(4,5)24(28)18-23(26)31/h10,20-21,24-25,32H,9,11-18H2,1-8H3/t20-,21-,24-,25-,28+,29-,30+/m0/s1 |
| InChIKey | TVMGQCAMNPECHD-VGYIVZNUSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 98JyXYpHTbI |
|---|---|
| Name | Tirucalla-8, 24-diene-3.beta.-ol-7-one |
| Appearance | Colorless gum |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)21-12-17-30(8)26-22(13-16-29(21,30)7)28(6)15-14-25(32)27(4,5)24(28)18-23(26)31/h10,20-21,24-25,32H,9,11-18H2,1-8H3/t20-,21-,24-,25-,28+,29-,30+/m0/s1 |
| InChIKey | TVMGQCAMNPECHD-VGYIVZNUSA-N |
| Instrument Name | JEOL GCmate |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0205396 |
| Molecular Weight | 440.712 g/mol |
| Optical Rotation | [a]D23 = -10.2 (c = 0.43, MeOH) |
| Reported Formula | C30H48O2 |
| SMILES | O[C@]1(CC[C@]2([C@](C1(C)C)(CC(C1=C2CC[C@@]2([C@@]1(CC[C@]2([C@@](C)(CCC=C(C)C)[H])[H])C)C)=O)[H])C)[H] |
| SPLASH | splash10-004l-2001900000-2ed8b625117d6cd0400d |
| Source of Spectrum | G4-66-633-2 |
| Synonyms | epi-Kansenone |
| Wiley ID | 1881398 |