(6R,6As,6bR,7aS,10R,10aS,12bR)-10-(furan-3-yl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate (CHEBI:182010)

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CHEBI:182010 - (6R,6As,6bR,7aS,10R,10aS,12bR)-10-(furan-3-yl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate

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ChEBI ID	CHEBI:182010
ChEBI Name	(6R,6As,6bR,7aS,10R,10aS,12bR)-10-(furan-3-yl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate
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Submitter	MetaboLights
Downloads	Molfile

Formula	C28H34O7
Net Charge	0
Average Mass	482.573
Monoisotopic Mass	482.23045
SMILES	[H][C@]12O[C@@]13[C@@](C)(CCC1[C@@]4(C)C=CC(=O)C(C)(C)C4C[C@@H](OC(C)=O)[C@]13C)[C@H](c1ccoc1)OC2=O
InChI	InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17?,18?,20-,21+,22-,25-,26+,27+,28-/m1/s1
InChIKey	YJXDGWUNRYLINJ-POZBICLPSA-N

ChEBI Ontology

Outgoing Relation(s)
	(6R,6As,6bR,7aS,10R,10aS,12bR)-10-(furan-3-yl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate (CHEBI:182010) is a limonoid (CHEBI:39434)

IUPAC Name
[(1S,2R,4S,7S,8S,12R,19R)-7-(uran-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate

Manual Xrefs	Databases
4642378	ChemSpider