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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > 3-o-acetyldehydroeburicoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3-o-acetyldehydroeburicoic acid

Preferred term

3-o-acetyldehydroeburicoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O6

inchi

  • InChI=1S/C31H46O6/c1-19(2)22-11-12-24-23(29(22,4)15-14-26(34)37-7)13-16-30(5)27(25(33)17-31(24,30)6)21(28(35)36)10-8-9-20(3)18-32/h9,12-13,21-22,25,27,32-33H,1,8,10-11,14-18H2,2-7H3,(H,35,36)/b20-9-/t21?,22?,25-,27+,29+,30-,31+/m1/s1

inchikey

  • OPDCNCKCFNXEMG-BOCBPPTNSA-N

mass

  • 514.703

monoisotopicmass

  • 514.32944

smiles

  • O=C(O)C([C@@H]1[C@@]2([C@@](C=3C([C@](C(C(=C)C)CC3)(CCC(=O)OC)C)=CC2)(C)C[C@H]1O)C)CC/C=C(/CO)/C

subset

  • 2_STAR

synonym EXACT

  • (Z)-2-[(2R,3R,3aR,6S,9bR)-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-7-hydroxy-6-methylhept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217637

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