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Concept information

Preferred term

indotertine b  

Type

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

Broader concept

charge

  • 0

formula

  • C33H45N3O3

inchi

  • InChI=1S/C33H45N3O3/c1-20(2)28-29(38)34-24(30(39)35(28)6)18-33-17-23-21(12-13-26-31(3,4)14-9-15-32(23,26)5)16-27(33)36(19-37)25-11-8-7-10-22(25)33/h7-8,10-11,16,19-20,23-24,26-28H,9,12-15,17-18H2,1-6H3,(H,34,38)/t23-,24-,26-,27+,28-,32+,33-/m0/s1

inchikey

  • CLQRSQVWBQMYTC-OESDABHNSA-N

mass

  • 531.741

monoisotopicmass

  • 531.34609

smiles

  • O=C1N([C@H](C(=O)N[C@H]1C[C@@]23C4=C(C=CC=C4)N([C@@H]2C=C5CC[C@@H]6[C@@]([C@H]5C3)(CCCC6(C)C)C)C=O)C(C)C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208571

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