| SpectraBase Compound ID | BipfV2x1OxY |
|---|---|
| InChI | InChI=1S/C30H52/c1-25(2)15-9-17-27(5)21(25)13-19-29(7)23(27)11-12-24-28(6)18-10-16-26(3,4)22(28)14-20-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22-,23+,24+,27-,28-,29+,30+/m0/s1 |
| InChIKey | QDUDLLAGYKHBNK-QPYQYMOUSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C30H52 |
| Exact Mass | 412.406902 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3dbWVvuNB6V |
|---|---|
| Name | Gammacerane |
| Alternate Name(s) | (4aS,6aR,6aR,6bR,8aS,12aS,14aR,14bS)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52 |
| InChI | InChI=1S/C30H52/c1-25(2)15-9-17-27(5)21(25)13-19-29(7)23(27)11-12-24-28(6)18-10-16-26(3,4)22(28)14-20-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22-,23+,24+,27-,28-,29+,30+/m0/s1 |
| InChIKey | QDUDLLAGYKHBNK-QPYQYMOUSA-N |
| Molecular Weight | 412.746 g/mol |
| SMILES | [C@@]12([C@]3([C@]([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)([H])CC[C@@]1([C@]1(CCCC([C@@]1(CC2)[H])(C)C)C)[H])C)C |
| SPLASH | splash10-0006-0900100000-1c1b63df5a8480dcf17d |
| Source of Spectrum | E1-40-1684-0 |
| Wiley ID | 1519525 |