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Concept information

Preferred term

Simpterpenoid A  

Type

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

charge

  • 0

formula

  • C27H36O7

inchi

  • InChI=1S/C27H36O7/c1-15-13-20-25(7,27(16(15)2,23(32)33-8)22(31)17(3)29)11-9-19-24(5,6)21(34-18(4)30)10-12-26(19,20)14-28/h13-14,19,21H,9-12H2,1-8H3/t19-,21+,25+,26+,27+/m1/s1

inchikey

  • NTILUGQMUZBHBH-GZDNXMLJSA-N

mass

  • 472.578

monoisotopicmass

  • 472.24610

smiles

  • O=C(OC)[C@]1(C(=C(C=C2[C@@]1(CC[C@H]3[C@@]2(C=O)CC[C@@H](C3(C)C)OC(=O)C)C)C)C)C(=O)C(=O)C

subset

  • 2_STAR

synonym EXACT

  • methyl (1S,4bS,7S,8aR,10aS)-7-acetyloxy-4b-ormyl-2,3,8,8,10a-pentamethyl-1-(2-oxopropanoyl)-5,6,7,8a,9,10-hexahydrophenanthrene-1-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216950

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