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Concept information

Preferred term

گانوکولوبتاوزین B  

Type

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

Broader concept

charge

  • 0

formula

  • C34H50O8

inchi

  • InChI=1S/C34H50O8/c1-20(30(38)39)9-11-27(41-23(4)36)21(2)24-13-16-33(8)25-10-12-28-31(5,6)42-29(37)15-18-34(28,19-40-22(3)35)26(25)14-17-32(24,33)7/h9,21,24,27-28H,10-19H2,1-8H3,(H,38,39)/t21-,24+,27-,28-,32+,33-,34-/m0/s1

inchikey

  • WLXCNQWHYINXNT-LTOGEVMSSA-N

mass

  • 586.766

monoisotopicmass

  • 586.35057

smiles

  • O=C1OC([C@@H]2CCC3=C([C@]2(CC1)COC(=O)C)CC[C@]4([C@]3(CC[C@@H]4[C@@H]([C@@H](OC(=O)C)CC=C(C(=O)O)C)C)C)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (5S,6S)-6-[(1R,3aR,5aR,10aR,12aR)-10a-(acetyloxymethyl)-3a,6,6,12a-tetramethyl-8-oxo-1,2,3,4,5,5a,9,10,11,12-decahydroindeno[5,4-g][2]benzoxepin-1-yl]-5-acetyloxy-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226744

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