Fern-9(11)-en-3,19-dione (CHEBI:200740)

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CHEBI:200740 - Fern-9(11)-en-3,19-dione

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ChEBI ID	CHEBI:200740
ChEBI Name	Fern-9(11)-en-3,19-dione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H46O2
Net Charge	0
Average Mass	438.696
Monoisotopic Mass	438.34978
SMILES	CC(C)[C@H]1CC(=O)[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]21C
InChI	InChI=1S/C30H46O2/c1-18(2)21-17-22(31)25-28(21,6)15-16-29(7)20-9-10-23-26(3,4)24(32)12-13-27(23,5)19(20)11-14-30(25,29)8/h11,18,20-21,23,25H,9-10,12-17H2,1-8H3/t20-,21+,23-,25+,27+,28+,29+,30-/m0/s1
InChIKey	MOKIXNUQEWEPPU-IJKLQHKJSA-N

Species of Metabolite	Component	Source	Comments
Pyxine berteroana (ncbitaxon:2884777)	-	PubMed (19848435)

ChEBI Ontology

Outgoing Relation(s)
	Fern-9(11)-en-3,19-dione (CHEBI:200740) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
78442515	ChemSpider