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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 > (22s,24e)-3beta,22-diacetoxy-7alpha,15alpha-dihydroxylanosta-8,24-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 > (22s,24e)-3beta,22-diacetoxy-7alpha,15alpha-dihydroxylanosta-8,24-dien-26-oic acid

Preferred term

(22s,24e)-3beta,22-diacetoxy-7alpha,15alpha-dihydroxylanosta-8,24-dien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C34H52O8

inchi

  • InChI=1S/C34H52O8/c1-18(30(39)40)10-11-25(41-20(3)35)19(2)23-16-27(38)34(9)29-22(12-15-33(23,34)8)32(7)14-13-28(42-21(4)36)31(5,6)26(32)17-24(29)37/h10,19,23-28,37-38H,11-17H2,1-9H3,(H,39,40)/b18-10+/t19-,23+,24+,25-,26-,27-,28-,32+,33+,34-/m0/s1

inchikey

  • YGIXGYUHDZWEHD-MYRFEEADSA-N

mass

  • 588.782

monoisotopicmass

  • 588.36622

smiles

  • O=C(O)/C(=C/C[C@H](OC(=O)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)C[C@H]3O)C)CC2)(C)[C@H](C1)O)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (E,5S,6S)-5-acetyloxy-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3-acetyloxy-7,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207363

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