Cas no 23924-95-0 ((3β,20α)-11,17α-Dimethoxy-18β-[[(7-methoxy-1,3-benzodioxol-5-yl)carbonyl]oxy]yohimban-16β-carboxylic acid methyl ester)

(3β,20α)-11,17α-Dimethoxy-18β-[[(7-methoxy-1,3-benzodioxol-5-yl)carbonyl]oxy]yohimban-16β-carboxylic acid methyl ester structure
23924-95-0 structure
Product Name:(3β,20α)-11,17α-Dimethoxy-18β-[[(7-methoxy-1,3-benzodioxol-5-yl)carbonyl]oxy]yohimban-16β-carboxylic acid methyl ester
CAS No:23924-95-0
MF:C32H36N2O9
MW:592.636249542236
CID:257498
Update Time:2024-02-29

(3β,20α)-11,17α-Dimethoxy-18β-[[(7-methoxy-1,3-benzodioxol-5-yl)carbonyl]oxy]yohimban-16β-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • Yohimban-16-carboxylicacid, 11,17-dimethoxy-18-[[(7-methoxy-1,3-benzodioxol-5-yl)carbonyl]oxy]-,methyl ester, (3b,16b,17a,18b,20a)- (9CI)
    • (3β,20α)-11,17α-Dimethoxy-18β-[[(7-methoxy-1,3-benzodioxol-5-yl)carbonyl]oxy]yohimban-16β-carboxylic acid methyl ester
    • Yohimban-16-carboxylicacid, 11,17-dimethoxy-18-[[(7-methoxy-1,3-benzodioxol-5-yl)carbonyl]oxy]-,methyl ester, (3b,16b,17a,18b
    • 3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester,3-methoxy-4,5-(methylenedioxy)benzoate (ester) (8CI)
    • Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
    • Veneserpine
    • CID 101297737
    • Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[(7-methoxy-1,3-benzodioxol-5-yl)carbonyl]oxy]-, methyl ester, (3β,16β,17α,18β,20α)- (9CI)
    • Inchi： 1S/C32H36N2O9/c1-37-18-5-6-19-20-7-8-34-14-17-11-26(43-31(35)16-9-24(38-2)29-25(10-16)41-15-42-29)30(39-3)27(32(36)40-4)21(17)13-23(34)28(20)33-22(19)12-18/h5-6,9-10,12,17,21,23,26-27,30,33H,7-8,11,13-15H2,1-4H3/t17-,21+,23-,26-,27+,30+/m1/s1
    • InChI Key： NNFNBOIIPVQUQN-AROYDKDISA-N
    • SMILES： O(C)[C@H]1[C@@H](C[C@@H]2CN3CCC4C5C=CC(=CC=5NC=4[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC)OC(C1=CC(=C2C(=C1)OCO2)OC)=O

Computed Properties

  • Exact Mass: 592.242
  • Monoisotopic Mass: 592.242
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 8
  • Complexity: 1030
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 118

(3β,20α)-11,17α-Dimethoxy-18β-[[(7-methoxy-1,3-benzodioxol-5-yl)carbonyl]oxy]yohimban-16β-carboxylic acid methyl ester Related Literature

Related Categories

23924-95-0 ((3β,20α)-11,17α-Dimethoxy-18β-[[(7-methoxy-1,3-benzodioxol-5-yl)carbonyl]oxy]yohimban-16β-carboxylic acid methyl ester) Related Products

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