(1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate (CHEBI:231471)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231471 - (1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate

Take structure to advanced search

ChEBI ID	CHEBI:231471
ChEBI Name	(1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate
Stars
ASCII Name	(1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C32H48O6
Net Charge	0
Average Mass	528.730
Monoisotopic Mass	528.34509
SMILES	[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)C[C@@H](O)[C@@H]3OC3(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)C(=O)C=C[C@]21C
InChI	InChI=1S/C32H48O6/c1-18(34)37-26-16-24-28(2,3)25(36)12-14-31(24,7)23-11-13-30(6)20(9-10-22(30)32(23,26)8)19(17-33)15-21(35)27-29(4,5)38-27/h10,12,14,19-21,23-24,26-27,33,35H,9,11,13,15-17H2,1-8H3/t19?,20-,21+,23+,24-,26+,27-,30-,31+,32-/m0/s1
InChIKey	WWUAPUNRXYKGPI-ILYBAXELSA-N

ChEBI Ontology

Outgoing Relation(s)
	(1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate (CHEBI:231471) is a acetate ester (CHEBI:47622)
	(1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate (CHEBI:231471) is a epoxide (CHEBI:32955)
	(1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate (CHEBI:231471) is a organic heteropentacyclic compound (CHEBI:38164)
	(1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate (CHEBI:231471) is a tetracyclic triterpenoid (CHEBI:26893)

UniProt Name	Source
(1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate	UniProt

Citations