Cas no 152408-82-7 (Cyclopenta[c]pyran-4-carboxylicacid,6-[[[(2S,3S,4R,6S)-4-[(1E)-1-formyl-1-propenyl]tetrahydro-2-hydroxy-6-methoxy-2H-pyran-3-yl]carbonyl]oxy]-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)- (9CI))

Cyclopenta[c]pyran-4-carboxylicacid,6-[[[(2S,3S,4R,6S)-4-[(1E)-1-formyl-1-propenyl]tetrahydro-2-hydroxy-6-methoxy-2H-pyran-3-yl]carbonyl]oxy]-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)- (9CI) structure
152408-82-7 structure
Product Name:Cyclopenta[c]pyran-4-carboxylicacid,6-[[[(2S,3S,4R,6S)-4-[(1E)-1-formyl-1-propenyl]tetrahydro-2-hydroxy-6-methoxy-2H-pyran-3-yl]carbonyl]oxy]-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)- (9CI)
CAS No:152408-82-7
MF:C28H40O15
MW:616.60821056366
CID:204531
Update Time:2024-03-01

Cyclopenta[c]pyran-4-carboxylicacid,6-[[[(2S,3S,4R,6S)-4-[(1E)-1-formyl-1-propenyl]tetrahydro-2-hydroxy-6-methoxy-2H-pyran-3-yl]carbonyl]oxy]-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclopenta[c]pyran-4-carboxylicacid,6-[[[(2S,3S,4R,6S)-4-[(1E)-1-formyl-1-propenyl]tetrahydro-2-hydroxy-6-methoxy-2H-pyran-3-yl]carbonyl]oxy]-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)- (9CI)
    • Cyclopenta[c]pyran-4-carboxylicacid,6-[[[(2S,3S,4R,6S)-4-[(1E)-1-formyl-1-propenyl]tetrahydro-2-hydroxy-6-methoxy-2H-pyran-3-
    • Cyclopenta[c]pyran-4-carboxylicacid,6-[[[(2S,3S,4R,6S)-4-[(1E)-1-formyl-1-propenyl]tetrahydro-2-hydroxy-6-methoxy-2H-pyran-3-yl]carbonyl]oxy]-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl
    • Cyclopenta[c]pyran-4-carboxylicacid,6-[[[4-(1-formyl-1-propenyl)tetrahydro-2-hydroxy-6-methoxy-2H-pyran-3-yl]carbonyl]oxy]-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, [1S-[1a,4aa,6a[2R*,3R*,4S*(E),6R*],7a,7aa]]-
    • Laciniatoside VI
    • CID 102150183
    • Inchi: 1S/C28H40O15/c1-5-12(8-29)13-7-18(37-3)42-26(36)20(13)25(35)40-16-6-14-15(24(34)38-4)10-39-27(19(14)11(16)2)43-28-23(33)22(32)21(31)17(9-30)41-28/h5,8,10-11,13-14,16-23,26-28,30-33,36H,6-7,9H2,1-4H3/b12-5-/t11-,13-,14+,16-,17+,18-,19+,20+,21+,22-,23+,26-,27-,28-/m0/s1
    • InChI Key: AZJNCPIRHFRIFV-MWBBRCRPSA-N
    • SMILES: O(C([C@@H]1[C@@H](O)O[C@@H](C[C@H]1/C(/C=O)=C\C)OC)=O)[C@H]1C[C@@H]2C(C(=O)OC)=CO[C@H]([C@@H]2[C@H]1C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Computed Properties

  • Exact Mass: 616.237
  • Monoisotopic Mass: 616.237
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 11
  • Complexity: 1080
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 217

Cyclopenta[c]pyran-4-carboxylicacid,6-[[[(2S,3S,4R,6S)-4-[(1E)-1-formyl-1-propenyl]tetrahydro-2-hydroxy-6-methoxy-2H-pyran-3-yl]carbonyl]oxy]-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-,methyl ester, (1S,4aS,6S,7R,7aS)- (9CI) Related Literature

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