| SpectraBase Compound ID | 7sdTDUqRXyk |
|---|---|
| InChI | InChI=1S/C30H48O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-24H,9,11-18H2,1-8H3/t20-,22-,23-,24+,27-,28+,29+,30-/m1/s1 |
| InChIKey | BCQNFYWIPQQTGS-UBYXKGFDSA-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 | 22EDAUSatU |
|---|---|
| Name | D:B-Friedo-B':A'-neogammacer-5-en-3-one |
| CAS Registry Number | 2318-78-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-24H,9,11-18H2,1-8H3/t20-,22-,23-,24+,27-,28+,29+,30-/m1/s1 |
| InChIKey | BCQNFYWIPQQTGS-UBYXKGFDSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | [C@@]12([C@@]([C@@]3([C@@]([C@]4(C(C(C)(C)C(CC4)=O)=CC3)[H])(C)CC1)[H])(CC[C@]1([C@]2(CC[C@@]1(C(C)C)[H])[H])C)C)C |
| SPLASH | splash10-0avl-9730000000-938d2851019ef6c6ab0d |
| Source of Spectrum | W5-0-0-0 |
| Wiley ID | 1379535 |