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Concept information

Preferred term

ارینارول اف  

Type

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

charge

  • 0

formula

  • C46H76O5

inchi

  • InChI=1S/C46H76O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(48)51-37-28-29-44(7)45(49)31-30-43(6)38(36(5)25-24-35(4)34(2)3)26-27-39(43)40(45)32-41(47)46(44,50)33-37/h12-13,15-16,24-25,32,34-39,41,47,49-50H,8-11,14,17-23,26-31,33H2,1-7H3/b13-12-,16-15-,25-24+/t35-,36+,37-,38+,39-,41-,43+,44+,45+,46-/m0/s1

inchikey

  • PNSISTCNWNAKTQ-AIDPMJBASA-N

mass

  • 709.109

monoisotopicmass

  • 708.56928

smiles

  • O=C(O[C@@H]1C[C@@]2(O)[C@]([C@]3(O)C([C@H]4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)CC3)=C[C@@H]2O)(C)CC1)CCCCCCC/C=C/C/C=C/CCCCC

subset

  • 2_STAR

synonym EXACT

  • [(3S,5R,6S,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5,6,9-trihydroxy-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212071

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