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CHEBI:42880 - 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:42880
ChEBI Name3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID
Stars
DownloadsMolfile
FormulaC32H46O7
Net Charge0
Average Mass542.713
Monoisotopic Mass542.32435
SMILES[H]OC(=O)[C@@]1(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])=C3[C@@]4(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])[C@@]([H])([C@]([H])(C([H])=O)C([H])([H])C(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])OC(=O)C([H])([H])[H]
InChIInChI=1S/C32H46O7/c1-18(2)14-21(35)15-20(17-33)27-24(36)16-31(6)23-8-9-25-29(4,22(23)10-13-30(27,31)5)12-11-26(39-19(3)34)32(25,7)28(37)38/h8,14,17,20,22,24-27,36H,9-13,15-16H2,1-7H3,(H,37,38)/t20-,22-,24-,25+,26+,27+,29+,30-,31+,32-/m0/s1
InChIKeyMKGUGMKLWZNKQT-DWJUSYOASA-N
ChEBI Ontology
Outgoing Relation(s)
3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID (CHEBI:42880) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACIDPDBeChem
(3alpha,5beta,14beta,16alpha,17alpha)-3-(acetyloxy)-16-hydroxy-21,23-dioxolanosta-7,24-dien-28-oic acidPDBeChem
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