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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 > triterpenoid > 3beta,7beta,15alpha,24-tetrahydroxyolean-12-ene-11,22-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3beta,7beta,15alpha,24-tetrahydroxyolean-12-ene-11,22-dione

Preferred term

3beta,7beta,15alpha,24-tetrahydroxyolean-12-ene-11,22-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O6

inchi

  • InChI=1S/C30H46O6/c1-25(2)12-17-16-10-18(32)24-26(3)9-8-20(33)28(5,15-31)19(26)11-21(34)30(24,7)29(16,6)23(36)14-27(17,4)22(35)13-25/h10,17,19-21,23-24,31,33-34,36H,8-9,11-15H2,1-7H3/t17-,19+,20-,21-,23-,24+,26-,27+,28+,29-,30+/m0/s1

inchikey

  • MPNSFABMYBSINH-DAZNLTMZSA-N

mass

  • 502.692

monoisotopicmass

  • 502.32944

smiles

  • O=C1C=C2[C@]([C@@H](O)C[C@@]3([C@H]2CC(C)(C)CC3=O)C)(C)[C@]4([C@H]1[C@@]5([C@H]([C@]([C@@H](O)CC5)(CO)C)C[C@@H]4O)C)C

subset

  • 2_STAR

synonym EXACT

  • (4aR,6S,6aR,6aR,6bR,7S,8aR,9S,10S,12aS,14bS)-6,7,10-trihydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,5,6,6a,7,8,8a,10,11,12,14b-dodecahydropicene-4,13-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206610

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