Cas no 63306-30-9 (Picras-1-en-21-oicacid, 13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxo-,methyl ester, (11b,12a,15b)-)

Picras-1-en-21-oicacid, 13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxo-,methyl ester, (11b,12a,15b)- structure
63306-30-9 structure
Product Name:Picras-1-en-21-oicacid, 13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxo-,methyl ester, (11b,12a,15b)-
CAS No:63306-30-9
MF:C32H42O16
MW:682.666291713715
CID:506177
PubChem ID:441789
Update Time:2025-04-19

Picras-1-en-21-oicacid, 13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxo-,methyl ester, (11b,12a,15b)- Chemical and Physical Properties

Names and Identifiers

    • Picras-1-en-21-oicacid, 13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxo-,methyl ester, (11b,12a,15b)-
    • bruceoside A
    • Picras-1-en-21-oicacid, 13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxo-,
    • Bruceosid A
    • Bruceosid-A
    • bruceoside-A
    • (11beta,12alpha,15beta)-13,20-Epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-picras-1-en-21-oic acid methyl ester
    • AC1L9BNS
    • Q27105982
    • CHEMBL504960
    • CS-0149509
    • Methyl 2-(hexopyranosyloxy)-11,12-dihydroxy-15-[(3-methylbut-2-enoyl)oxy]-3,16-dioxo-13,20-epoxypicras-1-en-21-oate
    • C08753
    • bruceosideA
    • AKOS040761433
    • DTXSID80979402
    • HY-N8995
    • methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
    • LS-109750
    • 63306-30-9
    • AKSGLPBROCFVSE-TUHDNREHSA-N
    • CHEBI:3192
    • methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5,18-dioxapentacyclo(12.5.0.01,6.02,17.08,13)nonadec-11-ene-17-carboxylate
    • Inchi： 1S/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
    • InChI Key： AKSGLPBROCFVSE-TUHDNREHSA-N
    • SMILES： O1C[C@@]23[C@H]4C[C@H]5[C@H](C)C(C(=C[C@]5(C)[C@H]2[C@H]([C@@H]([C@]1(C(=O)OC)[C@@H]3[C@H](C(=O)O4)OC(/C=C(\C)/C)=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)=O

Computed Properties

  • Exact Mass: 682.24700
  • Monoisotopic Mass: 682.24728525g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 8
  • Complexity: 1440
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 16
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 245?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.55±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 184-189 oC
  • Solubility: Very slightly soluble (0.11 g/l) (25 o C),
  • PSA: 245.04000
  • LogP: -2.36860

Picras-1-en-21-oicacid, 13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxo-,methyl ester, (11b,12a,15b)- Pricemore >>

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Picras-1-en-21-oicacid, 13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxo-,methyl ester, (11b,12a,15b)- Related Literature

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63306-30-9 (Picras-1-en-21-oicacid, 13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxo-,methyl ester, (11b,12a,15b)-) Related Products

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