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Concept information

Preferred term

تریپتوکالیک اسید C  

Type

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

charge

  • 0

formula

  • C30H48O4

inchi

  • InChI=1S/C30H48O4/c1-24(2)21(31)9-8-18-27(5)13-15-29(7)20-17-26(4,23(32)33)11-10-25(20,3)12-14-28(29,6)19(27)16-22-30(18,24)34-22/h18-22,31H,8-17H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,22+,25+,26+,27-,28+,29-,30-/m0/s1

inchikey

  • ICXWWEDNOSYVIP-FOACAYPJSA-N

mass

  • 472.701

monoisotopicmass

  • 472.35526

smiles

  • C1[C@H](O)C([C@@]23[C@](C1)([H])[C@]4([C@](C[C@H]3O2)([C@@]5([C@@](CC4)([C@]6([C@@](CC[C@](C6)(C(O)=O)C)(C)CC5)[H])C)C)[H])C)(C)C

subset

  • 3_STAR

synonym EXACT

  • (3R,4aR,4bS,6aR,6bS,9S,10aR,11aR,12aS,12bR,14aS)-9-hydroxy-3,4b,6a,10,10,12b,14a-heptamethylicosahydro-2H-piceno[4a,5-b]oxirene-3-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:132372

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