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Concept information

Preferred term

(24E) 3 oxo 23 hydroxycycloart 24 en 26 oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O4

inchi

  • InChI=1S/C30H46O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-23,31H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,20?,21-,22+,23+,27-,28+,29-,30+/m1/s1

inchikey

  • WQMAGDSBYCIARL-VXEOXPBSSA-N

mass

  • 470.694

monoisotopicmass

  • 470.33961

smiles

  • O=C1C([C@H]2[C@@]3([C@]4([C@H]([C@]5([C@]([C@@H]([C@@H](CC(O)/C=C(/C(=O)O)/C)C)CC5)(C)CC4)C)CC2)C3)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-4-hydroxy-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202880

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