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Concept information

Preferred term

Indotertine A  

Type

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

Broader concept

charge

  • 0

formula

  • C32H45N3O2

inchi

  • InChI=1S/C32H45N3O2/c1-19(2)27-28(36)34-24(29(37)35(27)6)18-32-17-22-20(16-26(32)33-23-11-8-7-10-21(23)32)12-13-25-30(3,4)14-9-15-31(22,25)5/h7-8,10-11,16,19,22,24-27,33H,9,12-15,17-18H2,1-6H3,(H,34,36)/t22-,24?,25-,26+,27-,31+,32-/m0/s1

inchikey

  • HNDQGALOECYSJC-XDFCJSMUSA-N

mass

  • 503.731

monoisotopicmass

  • 503.35118

smiles

  • O=C1N([C@H](C(=O)NC1C[C@@]23C4=C(C=CC=C4)N[C@@H]2C=C5CC[C@@H]6[C@@]([C@H]5C3)(CCCC6(C)C)C)C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (6S)-1-methyl-6-propan-2-yl-3-[[(1S,3S,11R,16S,21S)-17,17,21-trimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-4,6,8,12-tetraen-3-yl]methyl]piperazine-2,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212171

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