baccharis oxide (CHEBI:63463)

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CHEBI:63463 - baccharis oxide

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ChEBI ID	CHEBI:63463
ChEBI Name	baccharis oxide
Stars
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.
Last Modified	23 December 2011
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C30H50O
Net Charge	0
Average Mass	426.729
Monoisotopic Mass	426.38617
SMILES	[H][C@]12CC[C@@]3([H])C(C)(C)[C@@H]4CC[C@]3(O4)[C@]1(C)CC[C@@]1(C)C[C@](C)(CCC=C(C)C)CC[C@@]12C
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

ChEBI Ontology

Outgoing Relation(s)
	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

UniProt Name	Source
baccharis oxide	UniProt

Registry Numbers	Sources
Reaxys:1595725	Reaxys
Reaxys:19099090	Reaxys

Citations