Cas no 139501-37-4 (Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)-)

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)- structure
139501-37-4 structure
Product Name:Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)-
CAS No:139501-37-4
MF:C33H48O19
MW:748.722832679749
CID:197397
Update Time:2024-03-01

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)- Chemical and Physical Properties

Names and Identifiers

    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)-
    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7
    • Ligustrinoside
    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, [1S-[1a,4(1R*,4aR*,6R*,7S*,7aR*),4aa,6a,7a,7aa]]-
    • Inchi： 1S/C33H48O19/c1-10-16(36)4-12-15(9-47-30(20(10)12)51-32-26(41)24(39)22(37)18(6-34)49-32)29(44)48-17-5-13-14(28(43)45-3)8-46-31(21(13)11(17)2)52-33-27(42)25(40)23(38)19(7-35)50-33/h8-13,16-27,30-42H,4-7H2,1-3H3/t10-,11-,12+,13+,16-,17-,18+,19+,20+,21+,22+,23+,24-,25-,26+,27+,30-,31-,32-,33-/m0/s1
    • InChI Key： RFGKYBWBAYNUAA-RDVYHEPASA-N
    • SMILES： [C@@H]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(OC)=O)[C@@]2([H])C[C@H](OC(C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]4([H])[C@@H](C)[C@@H](O)C[C@@]43[H])=O)[C@H](C)[C@@]12[H]

Computed Properties

  • Exact Mass: 748.27900
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 52
  • XLogP3: -1.685

Experimental Properties

  • PSA: 290.05000
  • LogP: -3.91010

Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)- Related Literature

Related Categories

139501-37-4 (Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-6-[[[(1S,4aS,6S,7R,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-yl]carbonyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)-) Related Products

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