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Spiro[5.5]undecan-3-ol, 2,8-dibromo-9-chloro-1,1,9-trimethyl-5-methylene-, acetate, [2R-[2.alpha.,3.alpha.,6.alpha.(8R*,9R*)]]-
SpectraBase Compound ID 76qGBeHIpQa
InChI InChI=1S/C17H25Br2ClO2/c1-10-8-12(22-11(2)21)14(19)15(3,4)17(10)7-6-16(5,20)13(18)9-17/h12-14H,1,6-9H2,2-5H3/t12-,13+,14+,16+,17+/m1/s1
InChIKey PHNWCGZUYJUNDS-HZRXROBNSA-N
Mol Weight 456.65 g/mol
Molecular Formula C17H25Br2ClO2
Exact Mass 453.990984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJTXHk8bYy1
Name Spiro[5.5]undecan-3-ol, 2,8-dibromo-9-chloro-1,1,9-trimethyl-5-methylene-, acetate, [2R-[2.alpha.,3.alpha.,6.alpha.(8R*,9R*)]]-
CAS Registry Number 131683-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25Br2ClO2
InChI InChI=1S/C17H25Br2ClO2/c1-10-8-12(22-11(2)21)14(19)15(3,4)17(10)7-6-16(5,20)13(18)9-17/h12-14H,1,6-9H2,2-5H3/t12-,13+,14+,16+,17+/m1/s1
InChIKey PHNWCGZUYJUNDS-HZRXROBNSA-N
Molecular Weight 456.646 g/mol
SMILES [C@]12(C([C@@](Br)([C@@](CC2=C)(OC(=O)C)[H])[H])(C)C)C[C@](Br)([C@](CC1)(Cl)C)[H]
SPLASH splash10-014i-0529000000-c761235f89a728757e5a
Source of Spectrum H-73-1618-3
Synonyms (+)-(2R,3S,6R,8R,9R)-2,8-dibromo-9-chloro-1,1,9-trimethyl-5-methylidenespiro[5,5]undec-3-yl acetate (2R,3R,6S,8S,9S)-2,8-dibromo-9-chloro-1,1,9-trimethyl-5-methylenespiro[5.5]undec-3-yl acetate Rogiolol acetate
Wiley ID 1388595