Cas no 2364643-13-8 (β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-bis(acetyloxy)-25-hydroxydammar-20(22)-en-6-yl, 3,4,6-triacetate)

β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-bis(acetyloxy)-25-hydroxydammar-20(22)-en-6-yl, 3,4,6-triacetate structure
2364643-13-8 structure
Product Name:β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-bis(acetyloxy)-25-hydroxydammar-20(22)-en-6-yl, 3,4,6-triacetate
CAS No:2364643-13-8
MF:C46H72O14
MW:849.05549621582
CID:5616321
Update Time:2024-02-02

β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-bis(acetyloxy)-25-hydroxydammar-20(22)-en-6-yl, 3,4,6-triacetate Chemical and Physical Properties

Names and Identifiers

    • β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12-bis(acetyloxy)-25-hydroxydammar-20(22)-en-6-yl, 3,4,6-triacetate
    • Inchi: 1S/C46H72O14/c1-24(15-14-18-42(7,8)53)30-16-20-45(12)36(30)31(55-26(3)48)21-34-44(11)19-17-35(56-27(4)49)43(9,10)40(44)32(22-46(34,45)13)59-41-37(52)39(58-29(6)51)38(57-28(5)50)33(60-41)23-54-25(2)47/h15,30-41,52-53H,14,16-23H2,1-13H3/b24-15+/t30-,31-,32+,33-,34-,35+,36+,37-,38-,39-,40?,41-,44-,45-,46-/m1/s1
    • InChI Key: LQYHOCFFHWAXED-HNAYMFRCSA-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(/C)=C/CCC(O)(C)C)C)C)[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1O

Experimental Properties

  • Density: 1.20±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 802.0±65.0 °C(Predicted)
  • pka: 12.38±0.70(Predicted)
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