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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > helvolic acid methyl ester
organooxygen compound > ester > carboxylic ester > acetate ester > helvolic acid methyl ester

Preferred term

helvolic acid methyl ester  

Type

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

charge

  • 0

formula

  • C34H46O8

has_functional_parent

inchi

  • InChI=1S/C34H46O8/c1-18(2)11-10-12-22(31(39)40-9)27-23-13-14-26-32(6)16-15-24(37)19(3)28(32)29(42-21(5)36)30(38)34(26,8)33(23,7)17-25(27)41-20(4)35/h11,15-16,19,23,25-26,28-29H,10,12-14,17H2,1-9H3/b27-22-/t19-,23+,25+,26+,28-,29+,32-,33+,34-/m1/s1

inchikey

  • JHEAWXMXAWIRAB-FTVOIDONSA-N

mass

  • 582.734

monoisotopicmass

  • 582.31927

smiles

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

subset

  • 3_STAR

synonym EXACT

  • methyl (17Z)-6beta,16beta-diacetoxy-4alpha,8,14-trimethyl-3,7-dioxo-5alpha,8alpha,9beta,13alpha,14beta-18-norcholesta-1,17,24-trien-21-oate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141360

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