(1alpha,6alpha,14alpha,16beta)-8-Acetoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate | CAS No. 73870-35-6

(1alpha,6alpha,14alpha,16beta)-8-Acetoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate

Basic Information

CAS Number

73870-35-6

Molecular Formula

C35H49NO9

Molecular Weight

627.78 g/mol

AD

Basic Physical Properties

Physical State

Powder

Density

1.26

CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C7=CC=C(C=C7)OC)OC)OC(=O)C)OC)OC)COC

InChI

InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29+,30-,31?,33+,34-,35+/m1/s1

InChIKey

LYUPEIXJYAJCHL-RMQZIYKOSA-N

LogP

3.6002000000000027

Topological Polar Surface Area

101.99000000000002 Ų

Hydrogen Bond Donor/Acceptor

0 / 10

Complexity

1140

Synonyms & References

English

  • 73870-35-6
  • YCA87035
  • Foresaconitine
  • (1alpha,6alpha,14alpha,16beta)-8-(acetyloxy)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate
  • Vilmorrianine C
  • 8-(acetyloxy)-20-ethyl-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl 4-methoxybenzoate
  • CHEBI:132637
  • [(1S,2R,3R,4S,5R,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
  • Q-100804
  • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-8,14-diol deriv.
  • 3,13,15-Trideoxyjesaconitine
  • Chasmanine 8-acetate 14-(p-methoxybenzoate)
  • Forresaconitine

MDL Number

MFCD02259453

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