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Home > Encyclopedia > [(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate

[(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate

[(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate structure

[(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate 

structure
  • CAS No:

    67370-01-8

  • Formula:

    C35H49NO10

  • Chemical Name:

    [(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate

  • Synonyms:

    Vanilloylzygadenine;3-Vaniloylzygadenine;67370-01-8;BRN 0075007;Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-(4-hydroxy-3-methoxybenzoate), (3-beta,4-alpha,15-alpha,16-beta)-

[(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate Basic Attributes

643.8 g/mol

643.33564676 g/mol

Characteristics

169 Ų

Computed Properties

Molecular Weight:643.8
XLogP3:1.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:643.33564676
Monoisotopic Mass:643.33564676
Topological Polar Surface Area:169
Heavy Atom Count:46
Complexity:1250
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(6S,9S,10S,12R,13S,14S,19S,22S,23R,25S)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 4-hydroxy-3-methoxybenzoate

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