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Home > Encyclopedia > (3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester

(3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester

(3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester structure

(3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester 

structure
  • CAS No:

    14509-92-3

  • Formula:

    C23H30N2O4

  • Chemical Name:

    (3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester

  • Synonyms:

    (3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester;Mitraciliatin;Mitraciliatine

(3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester Basic Attributes

398.4953

398.221

IE9LY4S85X

Characteristics

63.8

3.4

1.22±0.1 g/cm3(Predicted)

140-141 °C

560.3±50.0 °C(Predicted)

Computed Properties

Molecular Weight:398.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:398.22055744
Monoisotopic Mass:398.22055744
Topological Polar Surface Area:63.8
Heavy Atom Count:29
Complexity:624
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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