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3(S)-Iodo-4(R),8(S)-epoxycembra-11,15(17)-dien-16,14-olide
SpectraBase Compound ID 9DBGNyLegTz
InChI InChI=1S/C20H29IO3/c1-13-7-5-8-19(3)9-6-10-20(4,24-19)17(21)12-15-14(2)18(22)23-16(15)11-13/h7,15-17H,2,5-6,8-12H2,1,3-4H3/b13-7+/t15-,16-,17-,19+,20+/m0/s1
InChIKey SQXWEUKVZINMHR-QTBODSGZSA-N
Mol Weight 444.35 g/mol
Molecular Formula C20H29IO3
Exact Mass 444.11614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YUrFMzgOQy
Name 3(S)-Iodo-4(R),8(S)-epoxycembra-11,15(17)-dien-16,14-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29IO3
InChI InChI=1S/C20H29IO3/c1-13-7-5-8-19(3)9-6-10-20(4,24-19)17(21)12-15-14(2)18(22)23-16(15)11-13/h7,15-17H,2,5-6,8-12H2,1,3-4H3/b13-7+/t15-,16-,17-,19+,20+/m0/s1
InChIKey SQXWEUKVZINMHR-QTBODSGZSA-N
Molecular Weight 444.353 g/mol
SMILES C1(C([C@@]2(C[C@@]([C@@]3(O[C@](C)(CC\C=C\(C[C@@]2(O1)[H])C)CCC3)C)(I)[H])[H])=C)=O
SPLASH splash10-0159-9212000000-6d28d25ba1b75dd76b13
Source of Spectrum F-57-103-10
Wiley ID 1549074