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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-3beta,28-dihydroxy-7,11,15,23-tetraoxo-5alpha-lanosta-8-en-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-3beta,28-dihydroxy-7,11,15,23-tetraoxo-5alpha-lanosta-8-en-26-oic acid

Preferred term

12beta-acetoxy-3beta,28-dihydroxy-7,11,15,23-tetraoxo-5alpha-lanosta-8-en-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C32H44O10

inchi

  • InChI=1S/C32H44O10/c1-15(10-18(35)11-16(2)28(40)41)19-12-23(38)32(7)24-20(36)13-21-29(4,9-8-22(37)30(21,5)14-33)25(24)26(39)27(31(19,32)6)42-17(3)34/h15-16,19,21-22,27,33,37H,8-14H2,1-7H3,(H,40,41)/t15?,16?,19-,21-,22+,27-,29+,30+,31+,32+/m1/s1

inchikey

  • MHJXWOKOCVEOMZ-AJCXZUJNSA-N

mass

  • 588.694

monoisotopicmass

  • 588.29345

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206724

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