Cas no 117479-87-5 (Sesamoside)

Sesamoside structure
Sesamoside structure
Product Name:Sesamoside
CAS No:117479-87-5
MF:C17H24O12
MW:420.365266799927
MDL:MFCD20274707
CID:154392
PubChem ID:3082856
Update Time:2025-06-26

Sesamoside Chemical and Physical Properties

Names and Identifiers

    • Methyl (1aR,1bS,2S,5aR,6R,6aS)-2-(β-D-glucopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate
    • Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylicacid, 2-(b-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a...
    • SESAMOSIDE
    • 2-(β-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid methyl ester. (1aR-(1aα,1bβ,2β,5aβ,6β,6aα))-
    • Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid, 2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester. (1aR-(1aα,1bβ,2β,5aβ,6β,6aα))-
    • (1aR,1bS,2S,5aR,6R,6aS)-2-(beta-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid methyl ester
    • [ "" ]
    • C17H24O12
    • 2-(beta-D-Glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyloxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid methyl ester. (1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
    • W1758
    • N2284
    • Methyl 2-(hexopyranosyloxy)-5a,6-dihydroxy-1a-methyl-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylate
    • Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid,
    • MS-27371
    • s9405
    • CHEMBL2048637
    • methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
    • Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, [1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha)]-
    • 3-HYDROXYHEXADECANOICACIDMETHYLESTER
    • CS-0008942
    • DTXSID00922430
    • MFCD20274707
    • Oxireno(4,5)cyclopenta(1,2-c)pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester. (1aR-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-
    • AKOS032946156
    • 117479-87-5
    • Q2S45L3ZVB
    • HY-N0412
    • CCG-268887
    • Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, (1aR,1bS,2S,5aR,6R,6aS)-
    • SCHEMBL26561978
    • Methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-3,9-dioxatricyclo(4.4.0.0,)dec-7-ene-7-carboxylic acid
    • methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,9-dioxatricyclo(4.4.0.02,4)dec-7-ene-7-carboxylate
    • DA-77808
    • METHYL (1S,2R,4S,5R,6R,10S)-5,6-DIHYDROXY-2-METHYL-10-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-ENE-7-CARBOXYLATE
    • Methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0,]dec-7-ene-7-carboxylic acid
    • Sesamoside
    • MDL: MFCD20274707
    • Inchi: 1S/C17H24O12/c1-16-10-15(28-14-9(21)8(20)7(19)6(3-18)27-14)26-4-5(13(23)25-2)17(10,24)11(22)12(16)29-16/h4,6-12,14-15,18-22,24H,3H2,1-2H3/t6-,7-,8+,9-,10-,11-,12+,14+,15+,16-,17+/m1/s1
    • InChI Key: XZVXEPPPQBLGMQ-HISQCTEXSA-N
    • SMILES: O1[C@H]2[C@H]([C@@]3(C(C(=O)OC)=CO[C@H]([C@@H]3[C@@]12C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O

Computed Properties

  • Exact Mass: 420.12700
  • Monoisotopic Mass: 420.12677620 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 5
  • Complexity: 713
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 188
  • Molecular Weight: 420.4
  • XLogP3: -3.1

Experimental Properties

  • Color/Form: Powder
  • Density: 1.71
  • Melting Point: No data available
  • Boiling Point: 677.9±55.0 °C at 760 mmHg
  • Flash Point: 244.2±25.0 °C
  • Refractive Index: 1.658
  • PSA: 187.90000
  • LogP: -3.90460
  • Vapor Pressure: No data available

Sesamoside Security Information

Sesamoside Pricemore >>

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