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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 > 3alpha,12beta,15alpha-triacetoxy-5alpha-lanosta-7,9(11),24-trien-26-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3alpha,12beta,15alpha-triacetoxy-5alpha-lanosta-7,9(11),24-trien-26-oic acid

Preferred term

3alpha,12beta,15alpha-triacetoxy-5alpha-lanosta-7,9(11),24-trien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C36H52O8

inchi

  • InChI=1S/C36H52O8/c1-20(12-11-13-21(2)32(40)41)26-18-30(43-23(4)38)35(9)25-14-15-28-33(6,7)29(42-22(3)37)16-17-34(28,8)27(25)19-31(36(26,35)10)44-24(5)39/h13-14,19-20,26,28-31H,11-12,15-18H2,1-10H3,(H,40,41)/t20-,26-,28+,29-,30+,31-,34-,35-,36+/m1/s1

inchikey

  • YKOBPCCHFIIFIF-GPBACBDISA-N

mass

  • 612.804

monoisotopicmass

  • 612.36622

smiles

  • O=C(O)C(=CCC[C@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@H](OC(=O)C)CC4)(C)C)CC3)C)=C[C@H]2OC(=O)C)(C)[C@H](C1)OC(=O)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (6R)-2-methyl-6-[(3R,5R,10S,12R,13R,14S,15S,17R)-3,12,15-triacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200075

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