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Concept information

Preferred term

ایرپکسولاکتین I  

Type

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

Broader concept

charge

  • 0

formula

  • C31H50O6

inchi

  • InChI=1S/C31H50O6/c1-27(2)22-11-10-20-19(29(22,5)15-14-23(27)33)13-16-30(6)25(21(32)17-31(20,30)7)18(26(35)36)9-12-24(34)28(3,4)37-8/h10,13,18,21-25,32-34H,9,11-12,14-17H2,1-8H3,(H,35,36)/t18-,21-,22+,23+,24?,25+,29-,30-,31+/m1/s1

inchikey

  • WHISHYNXGOUKGT-UTOUSUKXSA-N

mass

  • 518.735

monoisotopicmass

  • 518.36074

smiles

  • O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)=CC2)(C)C[C@H]1O)C)CCC(O)C(OC)(C)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-6-methoxy-6-methylheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227544

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