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Chemistry, part 2

Content language

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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 > diterpenoid > 11beta-ethoxydaedaleanic acid a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 11beta-ethoxydaedaleanic acid a

Preferred term

11beta-ethoxydaedaleanic acid a  

Type

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

Broader concept

charge

  • 0

formula

  • C33H50O5

inchi

  • InChI=1S/C33H50O5/c1-10-38-28-18-33(9)30(24(31(36)37)13-11-21(6)19(2)3)27(35)17-32(33,8)25-15-12-22(7)23(29(25)28)14-16-26(34)20(4)5/h12,15,19-20,24,27-28,30,35H,6,10-11,13-14,16-18H2,1-5,7-9H3,(H,36,37)/t24-,27-,28+,30+,32+,33-/m1/s1

inchikey

  • FODATNQVSQLZFA-XJWRFWNJSA-N

mass

  • 526.758

monoisotopicmass

  • 526.36582

smiles

  • O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C(C(=C(C)C=C3)CCC(=O)C(C)C)[C@H](C2)OCC)(C)C[C@H]1O)C)CCC(=C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(2R,3R,3aR,5S,9bR)-5-ethoxy-2-hydroxy-3a,7,9b-trimethyl-6-(4-methyl-3-oxopentyl)-2,3,4,5-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216035

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