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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > 3beta-acetoxyolean-18-en-28-oic acid
organooxygen compound > ester > carboxylic ester > acetate ester > 3beta-acetoxyolean-18-en-28-oic acid
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > 3beta-acetoxyolean-18-en-28-oic acid

Preferred term

3beta-acetoxyolean-18-en-28-oic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C32H50O4

has_parent_hydride

inchi

  • InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h19,21,23-25H,9-18H2,1-8H3,(H,34,35)/t21-,23+,24-,25+,29+,30-,31-,32+/m1/s1

inchikey

  • ATCLOZHDTYBRBI-MGIFRHGRSA-N

mass

  • 498.73700

monoisotopicmass

  • 498.37091

smiles

  • CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C

subset

  • 3_STAR

synonym EXACT

  • 3beta-(acetyloxy)olean-18-en-28-oic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67949

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