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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)-22-acetoxy-3,7-dioxolanosta-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)-22-acetoxy-3,7-dioxolanosta-8,24-dien-26-oic acid

Preferred term

(22s,24e)-22-acetoxy-3,7-dioxolanosta-8,24-dien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C32H46O6

inchi

  • InChI=1S/C32H46O6/c1-18(28(36)37)9-10-24(38-20(3)33)19(2)21-11-16-32(8)27-22(12-15-31(21,32)7)30(6)14-13-26(35)29(4,5)25(30)17-23(27)34/h9,19,21,24-25H,10-17H2,1-8H3,(H,36,37)/b18-9+/t19-,21+,24-,25-,30+,31+,32-/m0/s1

inchikey

  • FINNNLBIZLVZCQ-QWTVHKFVSA-N

mass

  • 526.714

monoisotopicmass

  • 526.32944

smiles

  • O=C1C2=C([C@]3(CCC(C([C@@H]3C1)(C)C)=O)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H]([C@@H](OC(=O)C)C/C=C(/C(=O)O)/C)C)C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227143

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