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8-O-Acetoacetyl-13(R),14(R)-epoxy-15-iodo-epi-aplysin-20 [8-O-Acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-iodo-3(R),4(R)-epoxypentyl)decahydronaphthalene]
SpectraBase Compound ID BPWiwLzG5Vn
InChI InChI=1S/C24H38BrIO4/c1-15(27)13-20(28)30-23(5)11-7-16-21(2,3)18(25)9-10-22(16,4)17(23)8-12-24(6)19(14-26)29-24/h16-19H,7-14H2,1-6H3/t16-,17?,18-,19-,22-,23+,24-/m1/s1
InChIKey KUWFUEXQMXBGTJ-DRWXDSHJSA-N
Mol Weight 597.4 g/mol
Molecular Formula C24H38BrIO4
Exact Mass 596.099818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qgs5fnQIlT
Name 8-O-Acetoacetyl-13(R),14(R)-epoxy-15-iodo-epi-aplysin-20 [8-O-Acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-iodo-3(R),4(R)-epoxypentyl)decahydronaphthalene]
Alternate Name(s) (1S,2S,4aS,6R,8aR)-6-bromo-1-{2-[(2R,3S)-3-(iodomethyl)-2-methyloxiranyl]ethyl}-2,5,5,8a-tetramethyldecahydro-2-naphthalenyl 3-oxobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38BrIO4
InChI InChI=1S/C24H38BrIO4/c1-15(27)13-20(28)30-23(5)11-7-16-21(2,3)18(25)9-10-22(16,4)17(23)8-12-24(6)19(14-26)29-24/h16-19H,7-14H2,1-6H3/t16-,17?,18-,19-,22-,23+,24-/m1/s1
InChIKey KUWFUEXQMXBGTJ-DRWXDSHJSA-N
Molecular Weight 597.372 g/mol
SMILES [C@]12([C@@](C(C)(C)[C@@](CC2)(Br)[H])(CC[C@@](C1CC[C@]1(O[C@@]1(CI)[H])C)(OC(CC(=O)C)=O)C)[H])C
SPLASH splash10-0002-9005000000-c72262dab1202a3e5178
Source of Spectrum AJ-65-2302-8
Wiley ID 771697