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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

کوچلیوکینول III  

Type

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

Broader concept

charge

  • 0

formula

  • C32H50O9

inchi

  • InChI=1S/C32H50O9/c1-10-16(2)24(34)18(4)23-19(15-17(3)33)25(35)22-26(36)27-30(7)13-11-20(29(5,6)37)40-21(30)12-14-31(27,8)41-28(22)32(23,38)39-9/h16,18,20-21,24,26-27,34,36-38H,10-15H2,1-9H3/t16-,18-,20+,21+,24+,26+,27+,30-,31+,32+/m0/s1

inchikey

  • NZJKQPGUCNBBAC-UYPVARLYSA-N

mass

  • 578.743

monoisotopicmass

  • 578.34548

smiles

  • O=C1C2=C(O[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(O)(C)C)C)C)[C@@](OC)(O)C(=C1CC(=O)C)[C@@H]([C@H](O)[C@H](CC)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,4aR,6aR,8R,12S,12aS,12bR)-8,12-dihydroxy-9-[(2S,3R,4S)-3-hydroxy-4-methylhexan-2-yl]-3-(2-hydroxypropan-2-yl)-8-methoxy-6a,12b-dimethyl-10-(2-oxopropyl)-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-11-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199841

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