Cas no 1389314-49-1 (β-D-Glucopyranoside, (3β,6α,12β)-3,12-bis(acetyloxy)-20-hydroxydammar-24-en-6-yl, 2,3,4,6-tetraacetate)

β-D-Glucopyranoside, (3β,6α,12β)-3,12-bis(acetyloxy)-20-hydroxydammar-24-en-6-yl, 2,3,4,6-tetraacetate structure
1389314-49-1 structure
Product Name:β-D-Glucopyranoside, (3β,6α,12β)-3,12-bis(acetyloxy)-20-hydroxydammar-24-en-6-yl, 2,3,4,6-tetraacetate
CAS No:1389314-49-1
MF:C48H74O15
MW:891.092176914215
CID:5616322
Update Time:2024-02-03

β-D-Glucopyranoside, (3β,6α,12β)-3,12-bis(acetyloxy)-20-hydroxydammar-24-en-6-yl, 2,3,4,6-tetraacetate Chemical and Physical Properties

Names and Identifiers

    • β-D-Glucopyranoside, (3β,6α,12β)-3,12-bis(acetyloxy)-20-hydroxydammar-24-en-6-yl, 2,3,4,6-tetraacetate
    • Inchi： 1S/C48H74O15/c1-25(2)16-15-19-48(14,55)32-17-21-46(12)38(32)33(57-27(4)50)22-36-45(11)20-18-37(58-28(5)51)44(9,10)42(45)34(23-47(36,46)13)62-43-41(61-31(8)54)40(60-30(7)53)39(59-29(6)52)35(63-43)24-56-26(3)49/h16,32-43,55H,15,17-24H2,1-14H3/t32-,33-,34+,35+,36+,37+,38-,39+,40-,41+,42?,43+,45+,46+,47+,48-/m0/s1
    • InChI Key： XSVGXTOBPASIFP-ZTBHCXRESA-N
    • SMILES： O([C@@H]1C[C@@]2([C@@]([H])([C@]3(C)C1[C@](C)(C)[C@H](OC(C)=O)CC3)C[C@H](OC(C)=O)[C@@]1([H])[C@]2(CC[C@@H]1[C@](O)(C)CC/C=C(/C)\C)C)C)[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C

Experimental Properties

  • Density: 1.20±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 800.0±65.0 °C(Predicted)
  • pka: 15.06±0.29(Predicted)

β-D-Glucopyranoside, (3β,6α,12β)-3,12-bis(acetyloxy)-20-hydroxydammar-24-en-6-yl, 2,3,4,6-tetraacetate Related Literature

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