| SpectraBase Compound ID | 1KMmm0QFk5S |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-14-7-5-9-15(2)11-12-18-17(4)20(21)22-19(18)13-16(3)10-6-8-14/h8-9,13,18-19H,4-7,10-12H2,1-3H3/b14-8+,15-9+,16-13+/t18-,19+/m1/s1 |
| InChIKey | RCAHBKAGTYTMES-ZEMHAMIXSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5XTd5Pyw1Rl |
|---|---|
| Name | (-)-trans-Cembranolide |
| Alternate Name(s) | (3aR,15aS)-6,10,14-trimethyl-3-methylene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2(3H)-one (3aR,5E,9E,13E,15aS)-6,10,14-trimethyl-3-methylene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one (3aR,5E,9E,13E,15aS)-6,10,14-trimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one (3aR,6E,10E,14E,15aS)-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-14-7-5-9-15(2)11-12-18-17(4)20(21)22-19(18)13-16(3)10-6-8-14/h8-9,13,18-19H,4-7,10-12H2,1-3H3/b14-8+,15-9+,16-13+/t18-,19+/m1/s1 |
| InChIKey | RCAHBKAGTYTMES-ZEMHAMIXSA-N |
| Molecular Weight | 300.442 g/mol |
| SMILES | C1(C([C@]2(CC\C(=C\CC\C(=C\CC\C(=C\[C@@]2(O1)[H])C)C)C)[H])=C)=O |
| SPLASH | splash10-0udi-0098000000-6e80868c6a6995fb7f13 |
| Source of Spectrum | J-62-6607-1 |
| Wiley ID | 1303385 |