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Home > Encyclopedia > 29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate

29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate

29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate structure

29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate 

structure
  • CAS No:

    65931-92-2

  • Formula:

    C42H66O15

  • Chemical Name:

    29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate

  • Synonyms:

    Olean-12-ene-28,29-dioic acid,3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxy-,29-methyl ester,(3β,4α,20β)-;29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate;Phytolaccoside D;Esculentoside C;65608-02-8

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

29-Methyl (3β,4α,20β)-3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate Basic Attributes

810.968

810.96

Characteristics

242

3.72

1.4±0.1 g/cm3

908.6±65.0 °C at 760 mmHg

266.8±27.8 °C

1.611

Computed Properties

Molecular Weight:811.0
XLogP3:1.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:810.44017139
Monoisotopic Mass:810.44017139
Topological Polar Surface Area:242
Heavy Atom Count:57
Complexity:1570
Defined Atom Stereocenter Count:19
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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