| SpectraBase Compound ID | 69itYNChLPY |
|---|---|
| InChI | InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13+,15-/m1/s1 |
| InChIKey | HBTHUBMUAHAWBC-VNHYZAJKSA-N |
| Mol Weight | 220.36 g/mol |
| Molecular Formula | C15H24O |
| Exact Mass | 220.182715 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DGnx91TMUiy |
|---|---|
| Name | racemic 4-epiacorenone-B |
| Alternate Name(s) | (1R,4S,5R)-1,8-dimethyl-4-propan-2-yl-9-spiro[4.5]dec-7-enone (.+-.)-4-Epiacorenone B rel.-(1S,4R,5R)-1-isopropyl-4,8-dimethylspiro(4,5)dec-8-en-7-one (1R,4S,5R)-4-isopropyl-1,8-dimethyl-spiro[4.5]dec-7-en-9-one Spiro[4.5]dec-8-en-7-one, 1,8-dimethyl-4-(1-methylethyl)-, (1.alpha.,4.beta.,5.alpha.)-(.+-.)- (1R,4S,5R)-1,8-dimethyl-4-propan-2-yl-spiro[4.5]dec-7-en-9-one (1R,4S,5R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one |
| CAS Registry Number | 56363-00-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H24O |
| InChI | InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13+,15-/m1/s1 |
| InChIKey | HBTHUBMUAHAWBC-VNHYZAJKSA-N |
| Molecular Weight | 220.356 g/mol |
| SMILES | [C@@]12(CC(=O)C(=CC2)C)[C@@](CC[C@]1(C)[H])(C(C)C)[H] |
| SPLASH | splash10-05gi-3920000000-53a15da34e6233a369dd |
| Source of Spectrum | K-109-57-0 |
| Wiley ID | 1220541 |