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Isocymobarbatol
SpectraBase Compound ID CpLVkUaMSY5
InChI InChI=1S/C16H20Br2O2/c1-15(2)13-7-9-6-11(19)10(17)8-12(9)20-16(13,3)5-4-14(15)18/h6,8,13-14,19H,4-5,7H2,1-3H3/t13-,14-,16-/m0/s1
InChIKey ALTFOIOEOXFNOO-DZKIICNBSA-N
Mol Weight 404.14 g/mol
Molecular Formula C16H20Br2O2
Exact Mass 401.983006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Bw5JHMA0NZ
Name Isocymobarbatol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20Br2O2
InChI InChI=1S/C16H20Br2O2/c1-15(2)13-7-9-6-11(19)10(17)8-12(9)20-16(13,3)5-4-14(15)18/h6,8,13-14,19H,4-5,7H2,1-3H3/t13-,14-,16-/m0/s1
InChIKey ALTFOIOEOXFNOO-DZKIICNBSA-N
Molecular Weight 404.142 g/mol
SMILES Oc1c(cc2O[C@@]3([C@](C(C)(C)[C@](CC3)(Br)[H])(Cc2c1)[H])C)Br
SPLASH splash10-0uk9-0487900000-77fa94dfb14e62754863
Source of Spectrum X2-52-1094-4
Synonyms 3,7-Dibromo-6-hydroxy-4,4,13-trimethyl-(hexahydro)-dibenzo[2,3-b ; 5,6-b']pyran, stereoisomer (7S,8aS,10aS)-3,7-bis(bromanyl)-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
Wiley ID 1603275