Chem
J-GLOBAL ID：200907043815158777   Nikkaji number：J630.652G

Arenastatin A

アレナスタチンA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C34H42N2O8
Molecular formula furigana： C34-H42-N2-O8
Molecular weight： 606.716
InChI： InChI=1S/C34H42N2O8/c1-21(2)19-28-34(40)43-27(22(3)31-32(44-31)24-9-6-5-7-10-24)11-8-12-29(37)36-26(33(39)35-18-17-30(38)42-28)20-23-13-15-25(41-4)16-14-23/h5-10,12-16,21-22,26-28,31-32H,11,17-20H2,1-4H3,(H,35,39)(H,36,37)/b12-8+/t22-,26?,27-,28-,31+,32+/m0/s1
InChI key： GPUHMLPBKTYERL-JNSDPQITSA-N
SMILES： COc1ccc(CC2NC(=O)/C=C/C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)[C@H](C)[C@H]2O[C@@H]2c2ccccc2)cc1
Systematic name  (3)：
  • (3S,10R,13E,16S)-10-(4-メトキシベンジル)-16-[(S)-1-[(2R,3R)-3-フェニルオキシラニル]エチル]-3-(2-メチルプロピル)-1,4-ジオキサ-8,11-ジアザシクロヘキサデカ-13-エン-2,5,9,12-テトラオン
  • (3S,10R,13E,16S)-10-[(4-メトキシフェニル)メチル]-3-(2-メチルプロピル)-16-[(1S)-1-[(2R,3R)-3-フェニルオキシラン-2-イル]エチル]-1,4-ジオキサ-8,11-ジアザシクロヘキサデカ-13-エン-2,5,9,12-テトラオン
  • (3S,10R,13E,16S)-10-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Other name (5)：
  • アレナスタチンA
  • Arenastatin A
  • (3S,10R,13E,16S)-10-(4-Methoxybenzyl)-16-[(S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadeca-13-ene-2,5,9,12-tetrone
  • クリプトフィシン24
  • Cryptophycin 24
CAS registry number： 162600-54-6
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