Cas no 400091-05-6 ((4AR,6S,7R,8R,8aS)-8-(Allyloxy)-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano3,2-d1,3dioxin-7-ol)

(4AR,6S,7R,8R,8aS)-8-(Allyloxy)-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano3,2-d1,3dioxin-7-ol structure
400091-05-6 structure
Product Name:(4AR,6S,7R,8R,8aS)-8-(Allyloxy)-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano3,2-d1,3dioxin-7-ol
CAS No:400091-05-6
MF:C23H26O7
MW:414.448347568512
MDL:MFCD06797132
CID:325705
PubChem ID:87557952
Update Time:2025-04-19

(4AR,6S,7R,8R,8aS)-8-(Allyloxy)-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano3,2-d1,3dioxin-7-ol Chemical and Physical Properties

Names and Identifiers

    • b-D-Galactopyranoside,4-methoxyphenyl 4,6-O-[(S)-phenylmethylene]-3-O-2-propen-1-yl-
    • 4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-beta-D-galactopyranoside
    • (2S,4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
    • 4-METHOXYPHENYL 3-O-ALLYL-4,6-O-BENYLIDENE-BETA-D-GALACTOPYRANOSIDE
    • 4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-β-D-galactopyranoside
    • (4AR,6S,7R,8R,8aS)-8-(allyloxy)-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-ol
    • 4-METHOXYPHENYL3-O-ALLYL-4,6-O-BENZYLIDENE-BETA-D-GALACTOPYRANOSIDE
    • CID 126970166
    • (4AR,6S,7R,8R,8AS)-6-(4-METHOXYPHENOXY)-2-PHENYL-8-(PROP-2-EN-1-YLOXY)-HEXAHYDRO-2H-PYRANO[3,2-D][1,3]DIOXIN-7-OL
    • T72430
    • AKOS027320275
    • 400091-05-6
    • W-202649
    • 4-Methoxyphenyl 3-O-allyl-4,6-O-benzylidene-b-D-galactopyranoside
    • (4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
    • AS-74707
    • 1708088-34-9
    • A-D-galactopyranoside
    • 4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-
    • (4AR,6S,7R,8R,8aS)-8-(Allyloxy)-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano3,2-d1,3dioxin-7-ol
    • MDL: MFCD06797132
    • Inchi: 1S/C23H26O7/c1-3-13-26-21-19(24)23(28-17-11-9-16(25-2)10-12-17)29-18-14-27-22(30-20(18)21)15-7-5-4-6-8-15/h3-12,18-24H,1,13-14H2,2H3/t18-,19-,20+,21-,22?,23-/m1/s1
    • InChI Key: BALLDQXJTPWKTQ-YYKQMJRKSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1COC(C1C=CC=CC=1)O2)OCC=C)O)OC1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 414.16800
  • Monoisotopic Mass: 414.168
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 530
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.8
  • Topological Polar Surface Area: 75.6

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.3±0.1 g/cm3
  • Melting Point: 222.0 to 228.0 deg-C
  • Boiling Point: 589.9±50.0 °C at 760 mmHg
  • Flash Point: 310.5±30.1 °C
  • Refractive Index: -47.5 ° (C=0.5, Pyridine)
  • PSA: 75.61000
  • LogP: 2.84520
  • Solubility: Not determined
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

(4AR,6S,7R,8R,8aS)-8-(Allyloxy)-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano3,2-d1,3dioxin-7-ol Security Information

(4AR,6S,7R,8R,8aS)-8-(Allyloxy)-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano3,2-d1,3dioxin-7-ol Pricemore >>

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abcr
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