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3(S),7(S)-Diiodo-4(R),8(R)-epoxycembra-11,15(17)-dien-16,14-olide
SpectraBase Compound ID Al4qTF6AUlW
InChI InChI=1S/C20H28I2O3/c1-12-6-5-8-19(3)16(21)7-9-20(4,25-19)17(22)11-14-13(2)18(23)24-15(14)10-12/h6,14-17H,2,5,7-11H2,1,3-4H3/b12-6+/t14-,15-,16-,17-,19+,20+/m0/s1
InChIKey ABJVPMGWAANYLW-IGWMKULSSA-N
Mol Weight 570.25 g/mol
Molecular Formula C20H28I2O3
Exact Mass 570.012785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51e9exDilpy
Name 3(S),7(S)-Diiodo-4(R),8(R)-epoxycembra-11,15(17)-dien-16,14-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28I2O3
InChI InChI=1S/C20H28I2O3/c1-12-6-5-8-19(3)16(21)7-9-20(4,25-19)17(22)11-14-13(2)18(23)24-15(14)10-12/h6,14-17H,2,5,7-11H2,1,3-4H3/b12-6+/t14-,15-,16-,17-,19+,20+/m0/s1
InChIKey ABJVPMGWAANYLW-IGWMKULSSA-N
Molecular Weight 570.250 g/mol
SMILES C1(C([C@@]2(C[C@@]([C@@]3(O[C@](C)(CC\C=C\(C[C@@]2(O1)[H])C)[C@](CC3)(I)[H])C)(I)[H])[H])=C)=O
SPLASH splash10-0pc1-7691100000-16546e8d60172c16c203
Source of Spectrum F-57-103-13
Wiley ID 1549071