CHEBI:63463 - baccharis oxide

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ChEBI Name baccharis oxide
Definition A pentacyclic triterpenoid that is perhydrochrysene which is substituted by methyl groups at positions 1, 1, 4bβ, 6aα, 8β and 10aβ positions, by a 4-methylpent-3-enyl group at the 8α position, and with a β-oxygen bridge between the 2 and the 4a positions.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C30H50O
Net Charge 0
Average Mass 426.71740
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-21(2)10-9-14-26(5)16-18-28(7)23-12-11-22-25(3,4)24-13-15-30(22,31-24)29(23,8)19-17-27(28,6)20-26/h10,22-24H,9,11-20H2,1-8H3/t22-,23+,24-,26+,27-,28+,29+,30+/m0/s1
SMILES [H][C@@]12CC[C@]3([H])[C@@]4(C)CC[C@@](C)(CCC=C(C)C)C[C@]4(C)CC[C@@]3(C)[C@@]11CC[C@H](O1)C2(C)C
ChEBI Ontology
Outgoing baccharis oxide (CHEBI:63463) is a pentacyclic triterpenoid (CHEBI:25872)
Synonym Source
baccharis oxide UniProt
Registry Numbers Types Sources
1595725 Reaxys Registry Number Reaxys
19099090 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18850716 PubMed citation SUBMITTER
Last Modified
23 December 2011
General Comment
2011-12-22 Needed for the new IUBMB reaction (3S)-2,3-epoxy-2,3-dihydrosqualene = baccharis oxide.