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11.beta.,12-Dibromo-3,3-(ethylenedioxy)eudesmano-13,6.alpha.-lactone
SpectraBase Compound ID L3CmsPRd1rH
InChI InChI=1S/C17H24Br2O4/c1-9-12-13-10(11(14(18)19)15(20)23-13)3-4-16(12,2)5-6-17(9)21-7-8-22-17/h9-14H,3-8H2,1-2H3/t9?,10-,11?,12+,13-,16-/m0/s1
InChIKey MDRTVYGCXMLSRS-YISHCVRISA-N
Mol Weight 452.18 g/mol
Molecular Formula C17H24Br2O4
Exact Mass 450.004135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KfT1wl7YrI
Name 11.beta.,12-Dibromo-3,3-(ethylenedioxy)eudesmano-13,6.alpha.-lactone
Alternate Name(s) (1'S,2'S,6'S,9'S)-5'-(dibromomethyl)-9',13'-dimethyl-3'-oxaspiro[1,3-dioxolane-2,12'-tricyclo[7.4.0.0(2,6)]tridecane]-4'-one
CAS Registry Number 135645-75-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24Br2O4
InChI InChI=1S/C17H24Br2O4/c1-9-12-13-10(11(14(18)19)15(20)23-13)3-4-16(12,2)5-6-17(9)21-7-8-22-17/h9-14H,3-8H2,1-2H3/t9?,10-,11?,12+,13-,16-/m0/s1
InChIKey MDRTVYGCXMLSRS-YISHCVRISA-N
Molecular Weight 452.183 g/mol
SMILES C1(O[C@@]2([C@@]3([C@@](CCC4(C3C)OCCO4)(C)CC[C@]2(C1C(Br)Br)[H])[H])[H])=O
SPLASH splash10-00di-0009100000-3aa760b28063a958e7b7
Source of Spectrum J-56-6236-3
Wiley ID 1387555