3-[[12-acetyloxy-4,4,8,10,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid (CHEBI:181074)

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CHEBI:181074 - 3-[[12-acetyloxy-4,4,8,10,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid

Default Structure

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ChEBI ID	CHEBI:181074
ChEBI Name	3-[[12-acetyloxy-4,4,8,10,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H48O8
Net Charge	0
Average Mass	560.728
Monoisotopic Mass	560.33492
SMILES	CC(=O)OC1CC2C3(C)CCC(OC(=O)CC(=O)O)C(C)(C)C3CCC2(C)C2(C)CCC(C3(C)CCC(=O)O3)C12
InChI	InChI=1S/C32H48O8/c1-18(33)38-20-16-22-29(4)12-10-23(39-26(37)17-24(34)35)28(2,3)21(29)9-14-30(22,5)31(6)13-8-19(27(20)31)32(7)15-11-25(36)40-32/h19-23,27H,8-17H2,1-7H3,(H,34,35)
InChIKey	COUZJTKJINDPEN-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-[[12-acetyloxy-4,4,8,10,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid (CHEBI:181074) is a triterpenoid (CHEBI:36615)

IUPAC Name
3-[[12-acetyloxy-4,4,8,10,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid

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29814584	ChemSpider