skip to main content

Content language

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

Concept information

Preferred term

شیرینین A  

Type

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

charge

  • 0

formula

  • C37H45NO5

inchi

  • InChI=1S/C37H45NO5/c1-31(2)18-24-21-16-26-22(13-19(21)14-25(24)32(3,4)42-31)23-15-20-9-10-36(40)28-17-27(39)30-33(5,6)43-37(28,41-30)12-11-34(36,7)35(20,8)29(23)38-26/h13,16-18,20,25,30,38,40H,9-12,14-15H2,1-8H3/t20-,25?,30-,34+,35+,36+,37-/m0/s1

inchikey

  • YAGQIZPAJNEIKG-QIUCGPRRSA-N

mass

  • 583.769

monoisotopicmass

  • 583.32977

smiles

  • O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=C7C8=CC(OC(C8CC7=CC6C5C[C@@H]4CC3)(C)C)(C)C)C)(CC[C@@]29O[C@@H]1C(O9)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,4R,5S,23S,26S,30R)-26-hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8(20),9,11,18,27-hexaen-29-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206265

Download this concept: