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Home > Encyclopedia > [(2S)-2-[(1S)-1-[(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-acetyloxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate

[(2S)-2-[(1S)-1-[(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-acetyloxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate

[(2S)-2-[(1S)-1-[(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-acetyloxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate structure

[(2S)-2-[(1S)-1-[(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-acetyloxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate 

structure
  • CAS No:

    22848-79-9

  • Formula:

    C32H42O8

  • Chemical Name:

    [(2S)-2-[(1S)-1-[(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-acetyloxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate

  • Synonyms:

    WITHAFERIN-A DIACETATE;22848-79-9;NSC328416;NSC 328416;Ergosta-2,24-dien-26-oic acid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-;[(2S)-2-[(1S)-1-(acetoxy-dimethyl-oxo-[?]yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate;Cyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one, 4-(acetyloxy)-9-[(1S)-1-[(2S)-5-[(acetyloxy)methyl]-3,6-dihydro-4-methyl-6-oxo-2H-pyran-2-yl]ethyl]-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydro-9a,11b-dimethyl-, (4S,4aS,5aR,6aS,6bS,9R,9aS,11aS,11bR...

[(2S)-2-[(1S)-1-[(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-acetyloxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate Basic Attributes

554.7 g/mol

554.28796829 g/mol

Characteristics

109 Ų

Computed Properties

Molecular Weight:554.7
XLogP3:4.4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:554.28796829
Monoisotopic Mass:554.28796829
Topological Polar Surface Area:109
Heavy Atom Count:40
Complexity:1220
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(2S)-2-[(1S)-1-[(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-acetyloxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate

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