Neohop-13(18)-ene (CHEBI:227078)

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CHEBI:227078 - Neohop-13(18)-ene

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ChEBI ID	CHEBI:227078
ChEBI Name	Neohop-13(18)-ene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H50
Net Charge	0
Average Mass	410.730
Monoisotopic Mass	410.39125
SMILES	CC(C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]12C
InChI	InChI=1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h12,20-22,24-25H,9-11,13-19H2,1-8H3/t21-,22+,24+,25-,27-,28+,29-,30-/m1/s1
InChIKey	CFSDWXPIIWGIDB-YWMQVRGDSA-N

Species of Metabolite	Component	Source	Comments
Frankiaspecies (ncbitaxon:1855)	-	PubMed (11488925)

ChEBI Ontology

Outgoing Relation(s)
	Neohop-13(18)-ene (CHEBI:227078) is a triterpenoid (CHEBI:36615)

IUPAC Name
(3R,3aR,5aS,5bR,7aS,11aS,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene

Manual Xrefs	Databases
78437821	ChemSpider