Homohop-6-en-31-ol (CHEBI:221441)

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CHEBI:221441 - Homohop-6-en-31-ol

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ChEBI ID	CHEBI:221441
ChEBI Name	Homohop-6-en-31-ol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H52O
Net Charge	0
Average Mass	440.756
Monoisotopic Mass	440.40182
SMILES	CC(CCO)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5C=C[C@@]4(C)[C@]3(C)CC[C@@H]12
InChI	InChI=1S/C31H52O/c1-21(14-20-32)22-11-17-28(4)23(22)12-18-30(6)25(28)9-10-26-29(5)16-8-15-27(2,3)24(29)13-19-31(26,30)7/h13,19,21-26,32H,8-12,14-18,20H2,1-7H3/t21?,22-,23+,24+,25-,26-,28+,29+,30-,31-/m1/s1
InChIKey	PYCLRKGSLMZJIE-HDBRRRMTSA-N

Species of Metabolite	Component	Source	Comments
Burkholderia cepacia (ncbitaxon:292)	-	DOI (10.1016/s0378-1097(00)00006-9)

ChEBI Ontology

Outgoing Relation(s)
	Homohop-6-en-31-ol (CHEBI:221441) is a hopanoid (CHEBI:51963)

IUPAC Name
3-[(3R,3aS,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]butan-1-ol

Manual Xrefs	Databases
78438221	ChemSpider