| SpectraBase Compound ID | HXPFcLXFzD2 |
|---|---|
| InChI | InChI=1S/C24H31ClO9/c1-13-19(33-15(3)27)20(28)24(12-32-14(2)26)18(5-4-7-22(24,30)11-25)23(13)9-17(34-21(23)29)16-6-8-31-10-16/h6,8,10,13,17-20,28,30H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,20+,22+,23-,24+/m1/s1 |
| InChIKey | SEDZEPIOCMRXBS-ZYVKJICXSA-N |
| Mol Weight | 498.96 g/mol |
| Molecular Formula | C24H31ClO9 |
| Exact Mass | 498.16566 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H2IoL6PSsQL |
|---|---|
| Name | 7.alpha.,19-Diacetoxy-18-chloro-15,16-epoxy-4.alpha.,6.alpha.-dihydroxy-neocleroda-13(16),14-dien-20,12-olide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H31ClO9 |
| InChI | InChI=1S/C24H31ClO9/c1-13-19(33-15(3)27)20(28)24(12-32-14(2)26)18(5-4-7-22(24,30)11-25)23(13)9-17(34-21(23)29)16-6-8-31-10-16/h6,8,10,13,17-20,28,30H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,20+,22+,23-,24+/m1/s1 |
| InChIKey | SEDZEPIOCMRXBS-ZYVKJICXSA-N |
| Molecular Weight | 498.956 g/mol |
| SMILES | O[C@]1([C@]([C@]([C@]2([C@@]3([C@@]1([C@@](CCC3)(O)CCl)COC(=O)C)[H])C(O[C@@](C2)(c1cocc1)[H])=O)(C)[H])(OC(=O)C)[H])[H] |
| SPLASH | splash10-0400-0357900000-9d79f24cf62d1a33fc85 |
| Source of Spectrum | G4-59-372-13 |
| Synonyms | Acetic acid [(4R,4aR,5R,5'S,6S,7S,8S,8aS)-6-acetyloxy-4-(chloromethyl)-5'-(3-furanyl)-4,5-dihydroxy-7-methyl-2'-oxo-4a-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-8,3'-oxolane]yl]methyl ester [(4R,4aR,5R,5'S,6S,7S,8S,8aS)-6-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-4,5-dihydroxy-7-methyl-2'-oxospiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-8,3'-oxolane]-4a-yl]methyl acetate [(1S,2S,3S,4R,4aR,5R,5'S,8aS)-3-acetoxy-5-(chloromethyl)-5'-(3-furyl)-4,5-dihydroxy-2-methyl-2'-oxo-spiro[decalin-1,3'-tetrahydrofuran]-4a-yl]methyl acetate [(4R,4aR,5R,5'S,6S,7S,8S,8aS)-6-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-7-methyl-4,5-bis(oxidanyl)-2'-oxidanylidene-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-8,3'-oxolane]-4a-yl]methyl ethanoate |
| Wiley ID | 1606289 |