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Chemistry, part 1

Content language

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Concept information

organooxygen compound > 1,2-dihydro-acetoxydehydroaustin b

Preferred term

1,2-dihydro-acetoxydehydroaustin b  

Type

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

Broader concept

charge

  • 0

formula

  • C29H34O11

has_functional_parent

inchi

  • InChI=1S/C29H34O11/c1-13-24(8)20(37-17(5)31)28-14(2)26(11-10-19(32)38-23(26,6)7)12-18(36-16(4)30)25(28,9)27(13)21(33)35-15(3)29(27,40-28)22(34)39-24/h15,18,20H,1-2,10-12H2,3-9H3/t15-,18-,20-,24+,25-,26+,27+,28+,29+/m1/s1

inchikey

  • UDKVZXSAHWTGCN-MIOOGCPZSA-N

mass

  • 558.580

monoisotopicmass

  • 558.21011

smiles

  • O=C1O[C@]2(C(=C)[C@@]34[C@]1(O[C@@]5(C(=C)[C@@]6(C(OC(=O)CC6)(C)C)C[C@H]([C@]35C)OC(=O)C)[C@@H]2OC(=O)C)[C@H](OC4=O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,3R,5S,7R,8R,9S,12S,13R)-8-acetyloxy-2,2',2',9,13-pentamethyl-6,16-dimethylidene-6',11,15-trioxospiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,3'-oxane]-3-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207336

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