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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > [(1'r,3r,3'as,6's,8'r,9'as,10'ar)-7-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1h-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3h-cyclopenta[b]quinolizine]-8'-yl] acetate
organooxygen compound > [(1'r,3r,3'as,6's,8'r,9'as,10'ar)-7-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1h-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3h-cyclopenta[b]quinolizine]-8'-yl] acetate

Preferred term

[(1'r,3r,3'as,6's,8'r,9'as,10'ar)-7-[(2s)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1h-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3h-cyclopenta[b]quinolizine]-8'-yl] acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C30H39N3O6

has_functional_parent

inchi

  • InChI=1S/C30H39N3O6/c1-16-10-19(38-17(2)35)11-18-12-22-28(5,15-34)30(13-29(22,31-6)14-33(16)18)21-9-7-8-20(23(21)32-26(30)37)24(36)25-27(3,4)39-25/h7-9,15-16,18-19,22,25,31H,10-14H2,1-6H3,(H,32,37)/t16-,18+,19+,22+,25+,28+,29+,30-/m0/s1

inchikey

  • ODTKFWRIIHNFDF-VICBJUCRSA-N

mass

  • 537.657

monoisotopicmass

  • 537.28389

smiles

  • O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14[C@](C=O)([C@H]5C[C@H]6C[C@H](OC(=O)C)C[C@@H](N6C[C@@]5(C4)NC)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211330

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