Chem
J-GLOBAL ID：200907080843294506   Nikkaji number：J1.233.096K

(20α)-18β-[3,4,5-Trimethoxy(2,6-2H2)benzoyloxy]-11,17α-dimethoxy(3,9,10,12-2H4)yohimban-16β-carboxylic acid methyl ester

(20α)-18β-[3,4,5-トリメトキシ(2,6-2H2)ベンゾイルオキシ]-11,17α-ジメトキシ(3,9,10,12-2H4)ヨヒンバン-16β-カルボン酸メチル
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： C33H34[2H]6N2O9
Molecular formula furigana： C33-H40-N2-O9
Molecular weight： 614.725
InChI： InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27-,28+,31+/m1/s1/i7D,8D,11D,12D,14D,24D
InChI key： QEVHRUUCFGRFIF-WBJTYRMCSA-N
SMILES： c1([2H])c([2H])c2c3CCN4C[C@H]5C[C@@H](OC(=O)c6c([2H])c(OC)c(OC)c(OC)c6[2H])[C@H](OC)[C@H]([C@H]5C[C@@]4([2H])c3[nH]c2c([2H])c1OC)C(=O)OC
Systematic name  (3)：
  • (20α)-18β-[3,4,5-トリメトキシ(2,6-2H2)ベンゾイルオキシ]-11,17α-ジメトキシ(3,9,10,12-2H4)ヨヒンバン-16β-カルボン酸メチル
  • メチル (1S,15S,17R,18R,19S,20S)-6,18-ジメトキシ-17-[3,4,5-トリメトキシ(2,6-2H2)ベンゾイルオキシ](1,5,7,8-2H4)-3,13-ジアザペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-2(10),4,6,8-テトラエン-19-カルボキシラート
  • methyl (1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[3,4,5-trimethoxy(2,6-2H2)benzoyloxy](1,5,7,8-2H4)-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxylate
Other name (1)：
  • (20α)-18β-[3,4,5-Trimethoxy(2,6-2H2)benzoyloxy]-11,17α-dimethoxy(3,9,10,12-2H4)yohimban-16β-carboxylic acid methyl ester
Thsaurus map：
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