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(12S)-7-ALPHA,19-DIACETOXY-18-CHLORO-15,16-EPOXY-4-ALPHA-HYDROXY-6-OXONEOClERODA-13-(16),14-DIEN-20,12-OLIDE
SpectraBase Compound ID IVFiRu5tt2r
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzgmrrlrU02
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