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CHEBI:200765 - Rotalin B

ChEBI IDCHEBI:200765
ChEBI NameRotalin B
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FormulaC20H33BrO2
Net Charge0
Average Mass385.386
Monoisotopic Mass384.16639
SMILESC=CC1(C)CC[C@@H]2O[C@@]2(C)CC[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)O1
InChIInChI=1S/C20H33BrO2/c1-7-18(4)11-10-16-20(6,22-16)12-8-14-17(2,3)15(21)9-13-19(14,5)23-18/h7,14-16H,1,8-13H2,2-6H3/t14-,15-,16-,18?,19-,20-/m0/s1
InChIKeyWJKFHIRVWBSMNS-BBEBHDDQSA-N
ChEBI Ontology
Outgoing Relation(s)
Rotalin B (CHEBI:200765) is a epoxide (CHEBI:32955)
IUPAC Name 
(1S,4S,6S,11S,14S)-14-bromo-9-ethenyl-4,9,11,15,15-pentamethyl-5,10-dioxatricyclo[9.4.0.04,6]pentadecane
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