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Chemistry, part 1

Content language

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Concept information

organooxygen compound > austinone

Preferred term

austinone  

Type

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

Broader concept

charge

  • 0

formula

  • C32H40O13

has_functional_parent

inchi

  • InChI=1S/C32H40O13/c1-11-15(2)21(35)43-19-14-29(26(6,7)39,13-12-20(34)40-10)16(3)31-23(42-18(5)33)27(8)22(36)30(28(19,31)9)24(37)41-17(4)32(30,45-31)25(38)44-27/h11,17,19,23,39H,3,12-14H2,1-2,4-10H3/b15-11-/t17-,19-,23-,27+,28-,29+,30+,31+,32-/m0/s1

inchikey

  • MRHKPUBUALWPRQ-MHRMFALESA-N

mass

  • 632.659

monoisotopicmass

  • 632.24689

smiles

  • O=C1O[C@@]2(C(=O)[C@]34[C@]1(O[C@]5(C(=C)[C@@](C(O)(C)C)(CCC(=O)OC)C[C@@H]([C@@]35C)OC(=O)/C(=C/C)/C)[C@H]2OC(=O)C)[C@@H](OC4=O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2R,3S,5R,7S,8R,9S,12S,13S)-8-acetyloxy-5-(2-hydroxypropan-2-yl)-5-(3-methoxy-3-oxopropyl)-2,9,13-trimethyl-6-methylidene-11,15,16-trioxo-10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecan-3-yl] (Z)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206397

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