skip to main content

Content language

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

Concept information

Preferred term

phomopchalasin c  

Type

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

Broader concept

charge

  • 0

formula

  • C30H39NO6

inchi

  • InChI=1S/C30H39NO6/c1-18-10-9-13-23-27(37-35)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(33)30(23,26)25(36-21(4)32)14-15-29(5,34)17-18/h6-9,11-15,18,23-27,34-35H,10,16-17H2,1-5H3,(H,31,33)/b13-9+,15-14+/t18-,23-,24-,25+,26-,27+,29-,30+/m0/s1

inchikey

  • UCINNLJASWRMOG-WQNUPBJZSA-N

mass

  • 509.643

monoisotopicmass

  • 509.27774

smiles

  • O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](OC(=O)C)C=C[C@](O)(C[C@H](CC=C[C@H]4[C@H](OO)C(C)=C3C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2R,3E,5R,7S,9E,11R,12S,15R,16S)-16-benzyl-12-hydroperoxy-5-hydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216226

Download this concept: