CHEBI:63463 - baccharis oxide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name baccharis oxide ChEBI ID CHEBI:63463 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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 InChIKey FPGOBAVTXMFTQR-LXERUMJASA-N 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) IUPAC Name (2S,4aR,4bR,6aS,8R,10aR,10bR,12aS)-1,1,4b,6a,8,10a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydro-2H-2,4a-epoxychrysene Synonym Source baccharis oxide UniProt Registry Numbers Types Sources 1595725 Reaxys Registry Number Reaxys 19099090 Reaxys Registry Number Reaxys Citation 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.