| SpectraBase Compound ID | 25kD9T0cPtL |
|---|---|
| InChI | InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9-10,19-20,22,25H,11-18H2,1-8H3/t19-,20+,22?,25+,27-,28+,29-,30-/m1/s1 |
| InChIKey | AWUHBUKNSPYYTJ-QGYKZTQASA-N |
| Mol Weight | 422.7 g/mol |
| Molecular Formula | C30H46O |
| Exact Mass | 422.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CzOt8H9lYK8 |
|---|---|
| Name | URSA-9(11),12-DIEN-3-ONE |
| CAS Registry Number | 72093-24-4 |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 422.354866100 u |
| Formula | C30H46O |
| InChI | InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9-10,19-20,22,25H,11-18H2,1-8H3/t19-,20+,22?,25+,27-,28+,29-,30-/m1/s1 |
| InChIKey | AWUHBUKNSPYYTJ-QGYKZTQASA-N |
| Molecular Weight | 422.697 g/mol |
| Nominal Mass | 422 u |
| Number of Peaks | 307 |
| SMILES | C1(CC[C@@]2(C3=CC=C4[C@@]5([C@]([C@@](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)[H])(C)[H])[H])C)=O |
| SPLASH | splash10-00di-5940600000-1ed66c4c58bdf60cd879 |
| Source File Reference | LMCM-19709-879P |
| Source of Spectrum | Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms | (6aS,6bR,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicen-3-one |
| Wiley ID | 8_11270 |