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CHEBI:52318 - thalianol epoxide

ChEBI IDCHEBI:52318
ChEBI Namethalianol epoxide
Stars
Secondary ChEBI IDCHEBI:58889
Last Modified3 May 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@@]12CCC3=C(CC[C@]3(C)[C@H](C)CC/C=C(\C)CCC3OC3(C)C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H50O2/c1-20(12-15-26-28(5,6)32-26)10-9-11-21(2)29(7)18-16-23-22(29)13-14-24-27(3,4)25(31)17-19-30(23,24)8/h10,21,24-26,31H,9,11-19H2,1-8H3/b20-10+/t21-,24+,25+,26?,29-,30-/m1/s1
InChIKeyXKTXMMLYQVPCBO-JJDXWHOQSA-N
ChEBI Ontology
Outgoing Relation(s)
thalianol epoxide (CHEBI:52318) has functional parent thalianol (CHEBI:52317)
thalianol epoxide (CHEBI:52318) is a epoxide (CHEBI:32955)
IUPAC Name 
(3R,5aR,7S,9aS)-3-[(2R,5E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]-3,6,6,9a-tetramethyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-cyclopenta[a]naphthalen-7-ol