Chem
J-GLOBAL ID：200907062516093205   Nikkaji number：J810.963J

PH-1126

PH-1126
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： C39H47N5O5
Molecular formula furigana： C39-H47-N5-O5
Molecular weight： 665.835
InChI： InChI=1S/C39H47N5O5/c1-10-23-19(3)26-16-28-21(5)25(12-13-32(45)49-15-14-44(7)8)36(42-28)34-35(39(47)48-9)38(46)33-22(6)29(43-37(33)34)18-31-24(11-2)20(4)27(41-31)17-30(23)40-26/h10,16-18,21,25,35,38,40,43,46H,1,11-15H2,2-9H3/b26-16+,27-17-,28-16-,29-18-,30-17+,31-18-,36-34-/t21-,25-,35+,38+/m0/s1
InChI key： RTYAGJKCTJHZGO-LOGQEGQOSA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1c(c3[C@H]([C@@H](/C(=C\4/N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C=C)[C@H]([C@@H]4CCC(=O)OCCN(C)C)C)/c3[nH]1)C(=O)OC)O)C
Systematic name  (3)：
  • (3S)-9-エテニル-14-エチル-20β-ヒドロキシ-21α-(メトキシカルボニル)-4α,8,13,18-テトラメチル-3β-ホルビンプロパン酸2-(ジメチルアミノ)エチル
  • メチル (3R,4S,21S,22S)-22-{3-[2-(ジメチルアミノ)エトキシ]-3-オキソプロピル}-16-エテニル-11-エチル-4-ヒドロキシ-12,17,21,26-テトラメチル-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1,5,8(26),9,11,13(25),14,16,18,20(23)-デカエン-3-カルボキシラート
  • methyl (3R,4S,21S,22S)-22-{3-[2-(dimethylamino)ethoxy]-3-oxopropyl}-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate
Other name (2)：
  • PH-1126
  • (3S)-9-Ethenyl-14-ethyl-20β-hydroxy-21α-(methoxycarbonyl)-4α,8,13,18-tetramethyl-3β-phorbinepropanoic acid 2-(dimethylamino)ethyl ester
CAS registry number： 133965-04-5
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