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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 > 12beta-acetoxy-7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8,20-dien-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 > 12beta-acetoxy-7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8,20-dien-26-oic acid

Preferred term

12beta-acetoxy-7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8,20-dien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C32H42O9

inchi

  • InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h11,16,19-21,27,35H,9-10,12-14H2,1-8H3,(H,39,40)/b15-11-/t16?,19-,20+,21+,27-,30+,31+,32+/m1/s1

inchikey

  • DKZXEHHGZYVJLI-DEUPEMGMSA-N

mass

  • 570.679

monoisotopicmass

  • 570.28288

smiles

  • O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3([C@@H]1OC(=O)C)C)/C(=C/C(=O)CC(C(=O)O)C)/C)C)[C@@H](O)C[C@@H]4[C@@]2(CCC(C4(C)C)=O)C

subset

  • 2_STAR

synonym EXACT

  • (Z)-6-[(5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205249

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