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8-O-Acetoacetyl-13(R),14(R)-epoxy-15-hydroxy-epi-aplysin-20 [8-O-Acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-hydroxy-3(R),4(R)-epoxypentyl)decahydronaphthalene]

View entire compound with spectra: 1 MS (GC)

8-O-Acetoacetyl-13(R),14(R)-epoxy-15-hydroxy-epi-aplysin-20 [8-O-Acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-hydroxy-3(R),4(R)-epoxypentyl)decahydronaphthalene]
SpectraBase Compound ID 77S9SfLOXiE
InChI InChI=1S/C24H39BrO5/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/h16-19,26H,7-14H2,1-6H3/t16-,17?,18-,19-,22-,23+,24-/m1/s1
InChIKey FYABSFQAKIICNI-DRWXDSHJSA-N
Mol Weight 487.5 g/mol
Molecular Formula C24H39BrO5
Exact Mass 486.198087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bG9jo0bMh
Name 8-O-Acetoacetyl-13(R),14(R)-epoxy-15-hydroxy-epi-aplysin-20 [8-O-Acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-hydroxy-3(R),4(R)-epoxypentyl)decahydronaphthalene]
Alternate Name(s) (2S,4aS,6R,8aR)-6-bromo-1-{2-[(2R,3R)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl}-2,5,5,8a-tetramethyl-decahydronaphthalen-2-yl 3-oxobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H39BrO5
InChI InChI=1S/C24H39BrO5/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/h16-19,26H,7-14H2,1-6H3/t16-,17?,18-,19-,22-,23+,24-/m1/s1
InChIKey FYABSFQAKIICNI-DRWXDSHJSA-N
Molecular Weight 487.475 g/mol
SMILES OC[C@@]1([C@](O1)(CCC1[C@]2([C@@](C(C)(C)[C@@](CC2)(Br)[H])(CC[C@@]1(OC(CC(=O)C)=O)C)[H])C)C)[H]
SPLASH splash10-0f6x-0809000000-3c38b3011d43f0be2ac5
Source of Spectrum AJ-65-2301-6
Wiley ID 771699