| SpectraBase Compound ID | n61nOdO1Ar |
|---|---|
| InChI | InChI=1S/C17H24O6/c1-9-4-5-13-10(2)17(21)23-16(13)6-12(8-18)15(7-14(9)20)22-11(3)19/h4,6,10,13-16,18,20H,5,7-8H2,1-3H3/b9-4-,12-6-/t10-,13+,14+,15+,16+/m1/s1 |
| InChIKey | XKDIQABGHTWXMA-SLJAUAGDSA-N |
| Mol Weight | 324.37 g/mol |
| Molecular Formula | C17H24O6 |
| Exact Mass | 324.157288 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B1NgoEzqpHX |
|---|---|
| Name | (3a-Acetoxy-1a,15-dihydroxy-germacra-4Z,9Z-dien-6a,7a,11aH-12,6-olide) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H24O6 |
| InChI | InChI=1S/C17H24O6/c1-9-4-5-13-10(2)17(21)23-16(13)6-12(8-18)15(7-14(9)20)22-11(3)19/h4,6,10,13-16,18,20H,5,7-8H2,1-3H3/b9-4-,12-6-/t10-,13+,14+,15+,16+/m1/s1 |
| InChIKey | XKDIQABGHTWXMA-SLJAUAGDSA-N |
| Literature Reference DOI | 10.1248/cpb.c14-00692 |
| Molecular Weight | 324.373 g/mol |
| SMILES | OC\C1=C/[C@]2([C@@](C\C=C/([C@](C[C@@]1(OC(C)=O)[H])(O)[H])C)([C@](C(O2)=O)(C)[H])[H])[H] |
| SPLASH | splash10-0adj-9321000000-95f05b2deab10d4faf9b |
| Source of Spectrum | E1-60-312-1 |
| Synonyms | Zawadskinolide A (3R,3aS,5Z,7S,9S,10Z,11aR)-7-hydroxy-10-(hydroxymethyl)-3,6-dimethyl-2-oxo-2,3,3a,4,7,8,9,11a-octahydrocyclodeca[b]furan-9-yl acetate Acetic acid [(3R,3aS,5Z,7S,9S,10Z,11aR)-7-hydroxy-10-(hydroxymethyl)-3,6-dimethyl-2-oxo-3a,4,7,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl] ester [(3R,3aS,5Z,7S,9S,10Z,11aR)-7-hydroxy-10-(hydroxymethyl)-3,6-dimethyl-2-oxo-3a,4,7,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl] acetate [(3R,3aS,5Z,7S,9S,10Z,11aR)-10-(hydroxymethyl)-3,6-dimethyl-7-oxidanyl-2-oxidanylidene-3a,4,7,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl] ethanoate |
| Wiley ID | 1743560 |