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ergoclavine

ergoclavine structure

ergoclavine 

structure
  • CAS No:

    8052-85-5

  • Formula:

    C30H37N5O5

  • Chemical Name:

    ergoclavine

  • Synonyms:

    Ergoclavin;Ergoclavine;Ergosine mixt. with ergosinine;Ergotaman-3",6",18-trione, 12"-hydroxy-2"-methyl-5"-(2-methylpropyl)-, (5"-alpha)-, mixt. with (5"-alpha,8-alpha)-12"-hydroxy-2"-methyl-5"-(2-methylpropyl)ergotaman-3",6",18-trione;Ergosinine Mixt. With Ergosine;LS-64552

ergoclavine Basic Attributes

1095.29056

1094.559

Characteristics

236

170-171 °C(Solv: ethanol (64-17-5)(90%))

Safety Information

6.1(b)

1544

Computed Properties

Molecular Weight:1095.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:1094.55893860
Monoisotopic Mass:1094.55893860
Topological Polar Surface Area:236
Heavy Atom Count:80
Complexity:1140
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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