| SpectraBase Compound ID | JeJokpTWfJB |
|---|---|
| InChI | InChI=1S/C30H50/c1-25(2)16-17-27(5)18-19-29(7)22-10-11-23-26(3,4)13-9-14-28(23,6)21(22)12-15-30(29,8)24(27)20-25/h23-24H,9-20H2,1-8H3/t23-,24+,27+,28+,29+,30-/m0/s1 |
| InChIKey | ZJFCFQZUMBQPHL-WXJQEXDJSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C30H50 |
| Exact Mass | 410.391252 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LmIa4y0puRR |
|---|---|
| Name | Bauerene |
| Alternate Name(s) | (4aR,6aS,8aS,12aS,14aS,14bR)-2,2,4a,6a,9,9,12a,14a-octamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene bauerene(not under that name in CAS 1994 Index Guide) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50 |
| InChI | InChI=1S/C30H50/c1-25(2)16-17-27(5)18-19-29(7)22-10-11-23-26(3,4)13-9-14-28(23,6)21(22)12-15-30(29,8)24(27)20-25/h23-24H,9-20H2,1-8H3/t23-,24+,27+,28+,29+,30-/m0/s1 |
| InChIKey | ZJFCFQZUMBQPHL-WXJQEXDJSA-N |
| Molecular Weight | 410.730 g/mol |
| SMILES | [C@@]12(C3=C([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)CC[C@]2([C@@]2(CC(C)(C)CC[C@@]2(CC1)C)[H])C)C |
| SPLASH | splash10-001i-9571100000-a9768e490815e4ceaaec |
| Source of Spectrum | KC-1977-1-10 |
| Wiley ID | 1373965 |