SpectraBase Compound ID | IVFiRu5tt2r |
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InChI | InChI=1S/C24H29ClO9/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/h6,8,10,13,17-19,30H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,22+,23-,24+/m1/s1 |
InChIKey | KXXIJSYFLOAMAL-GLKDLLASSA-N |
Mol Weight | 496.94 g/mol |
Molecular Formula | C24H29ClO9 |
Exact Mass | 496.15001 g/mol |
SpectraBase Spectrum ID | BzgmrrlrU02 |
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Name | 7.alpha.,19-Diacetoxy-18-chloro-15,16-epoxy-4.alpha.hydroxy-6-oxo-neocleroda-13(16),14-dien-20,12-olide - |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C24H29ClO9 |
InChI | InChI=1S/C24H29ClO9/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/h6,8,10,13,17-19,30H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,22+,23-,24+/m1/s1 |
InChIKey | KXXIJSYFLOAMAL-GLKDLLASSA-N |
Molecular Weight | 496.940 g/mol |
SMILES | O[C@]1([C@@]2(C([C@@](OC(=O)C)([C@]([C@]3([C@]2(CCC1)[H])C(O[C@@](C3)(c1cocc1)[H])=O)(C)[H])[H])=O)COC(=O)C)CCl |
SPLASH | splash10-0006-9001000000-ad9d01df169db3e0d5ba |
Source of Spectrum | G4-59-371-8 |
Synonyms | Acetic acid [(4R,4aS,5'S,6S,7S,8S,8aS)-6-acetyloxy-4-(chloromethyl)-5'-(3-furanyl)-4-hydroxy-7-methyl-2',5-dioxo-4a-spiro[1,2,3,6,7,8a-hexahydronaphthalene-8,3'-oxolane]yl]methyl ester [(4R,4aS,5'S,6S,7S,8S,8aS)-6-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-4-hydroxy-7-methyl-2',5-dioxospiro[1,2,3,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate [(1S,2S,3S,4aS,5R,5'S,8aS)-3-acetoxy-5-(chloromethyl)-5'-(3-furyl)-5-hydroxy-2-methyl-2',4-dioxo-spiro[decalin-1,3'-tetrahydrofuran]-4a-yl]methyl acetate [(4R,4aS,5'S,6S,7S,8S,8aS)-6-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-7-methyl-4-oxidanyl-2',5-bis(oxidanylidene)spiro[1,2,3,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-4a-yl]methyl ethanoate |
Wiley ID | 1606230 |