| SpectraBase Compound ID | iCznmspiqu |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-13(2)20(22)10-9-18(4)12-15-14(3)7-6-8-19(15,5)17(21)11-16(18)20/h6-8,13,15-16,22H,9-12H2,1-5H3/t15-,16-,18-,19+,20-/m1/s1 |
| InChIKey | DPCRJMSIFGEPEE-CVYSASLGSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HvJN5Zpc1W5 |
|---|---|
| Name | 12-Hydroxy-dolasta-4,6-dien-9-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-13(2)20(22)10-9-18(4)12-15-14(3)7-6-8-19(15,5)17(21)11-16(18)20/h6-8,13,15-16,22H,9-12H2,1-5H3/t15-,16-,18-,19+,20-/m1/s1 |
| InChIKey | DPCRJMSIFGEPEE-CVYSASLGSA-N |
| Molecular Weight | 302.458 g/mol |
| SMILES | O[C@@]1([C@@]2(CC([C@@]3([C@](C[C@]2(CC1)C)(C(C)=CC=C3)[H])C)=O)[H])C(C)C |
| SPLASH | splash10-05ai-0910000000-3b668f47b5d4e17420e0 |
| Source of Spectrum | X2-57-1536-1 |
| Synonyms | (3R,3aR,5aS,9aR,10aR)-3-hydroxy-5a,9,10a-trimethyl-3-propan-2-yl-1,2,3a,4,9a,10-hexahydrobenzo[f]azulen-5-one (3R,3aR,5aS,9aR,10aR)-3-hydroxy-3-isopropyl-5a,9,10a-trimethyl-1,2,3a,4,9a,10-hexahydrobenzo[f]azulen-5-one (3R,3aR,5aS,9aR,10aR)-5a,9,10a-trimethyl-3-oxidanyl-3-propan-2-yl-1,2,3a,4,9a,10-hexahydrobenzo[f]azulen-5-one |
| Wiley ID | 1605698 |