SpectraBase Compound ID | 8vqEMHrO9re |
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InChI | InChI=1S/C15H18O3/c1-7-10-5-15(17)8(2)9-4-11(9)14(15,3)6-12(10)18-13(7)16/h9,11-12,17H,2,4-6H2,1,3H3/t9-,11-,12+,14+,15+/m1/s1 |
InChIKey | KYPVAEYWYXRXRQ-FWTMIXAASA-N |
Mol Weight | 246.31 g/mol |
Molecular Formula | C15H18O3 |
Exact Mass | 246.125594 g/mol |
SpectraBase Spectrum ID | 8GUbRcE2U1N |
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Name | Sarcandralactone A |
Appearance | Colorless gum |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C15H18O3 |
InChI | InChI=1S/C15H18O3/c1-7-10-5-15(17)8(2)9-4-11(9)14(15,3)6-12(10)18-13(7)16/h9,11-12,17H,2,4-6H2,1,3H3/t9-,11-,12+,14+,15+/m1/s1 |
InChIKey | KYPVAEYWYXRXRQ-FWTMIXAASA-N |
Instrument Name | Finnigan MAT-95 |
Ionization Type | EI |
Literature Reference DOI | 10.1021/np9006469 |
Molecular Weight | 246.306 g/mol |
Optical Rotation | [a]D20 = +168 (c = 0.1, MeOH) |
Reported Formula | C15H18O3 |
SMILES | O[C@@]12[C@]([C@]3([C@@](C2=C)(C3)[H])[H])(C[C@]2(C(C1)=C(C(O2)=O)C)[H])C |
SPLASH | splash10-0m2c-9630000000-84b7bf3fe2ac9fd3d8d0 |
Source of Spectrum | G4-73-49-1 |
Wiley ID | 1846389 |