| SpectraBase Compound ID | GtlSzHcah6W |
|---|---|
| InChI | InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1 |
| InChIKey | KHSCYOFDKADJDJ-NQLMQOPMSA-N |
| Mol Weight | 346.38 g/mol |
| Molecular Formula | C19H22O6 |
| Exact Mass | 346.141638 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L70knDcKbQg |
|---|---|
| Name | 2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,6aR,8S,9aR,9bR)-dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester |
| CAS Registry Number | 35730-78-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H22O6 |
| InChI | InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1 |
| InChIKey | KHSCYOFDKADJDJ-NQLMQOPMSA-N |
| Molecular Weight | 346.379 g/mol |
| SMILES | OCC(C(O[C@@]1([C@@]2([C@@]([C@]3(C([C@](C[C@]3(C(C1)=C)[H])(O)[H])=C)[H])(OC(C2=C)=O)[H])[H])[H])=O)=C |
| SPLASH | splash10-0aou-9530000000-8b0bb0332cff37a01bc1 |
| Source of Spectrum | H-62-1296-0 |
| Synonyms | 2-Propenoic acid, 2-(hydroxymethyl)-, dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (3aR-(3aalpha,4alpha,6aalpha,8beta,9aalpha,9bbeta))- Cynaropicrin 2-(hydroxymethyl)-2-propenoic acid [(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester [(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate [(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate [(3aR,4S,6aR,8S,9aR,9bR)-3,6,9-trimethylidene-8-oxidanyl-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate |
| Wiley ID | 1339227 |