Cas no 135638-54-9 (Picras-2-en-1-one,13-(acetyloxy)-16-(b-D-glucopyranosyloxy)-2-methoxy-11,12-[methylenebis(oxy)]-, (11a,12b,16a)- (9CI))

Picras-2-en-1-one,13-(acetyloxy)-16-(b-D-glucopyranosyloxy)-2-methoxy-11,12-[methylenebis(oxy)]-, (11a,12b,16a)- (9CI) structure
135638-54-9 structure
Product Name:Picras-2-en-1-one,13-(acetyloxy)-16-(b-D-glucopyranosyloxy)-2-methoxy-11,12-[methylenebis(oxy)]-, (11a,12b,16a)- (9CI)
CAS No:135638-54-9
MF:C30H44O13
MW:612.662570953369
CID:175820
PubChem ID:196880
Update Time:2025-04-19

Picras-2-en-1-one,13-(acetyloxy)-16-(b-D-glucopyranosyloxy)-2-methoxy-11,12-[methylenebis(oxy)]-, (11a,12b,16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Picras-2-en-1-one,13-(acetyloxy)-16-(b-D-glucopyranosyloxy)-2-methoxy-11,12-[methylenebis(oxy)]-, (11a,12b,16a)- (9CI)
    • Picrasinoside H
    • 6-(hexopyranosyloxy)-11-methoxy-4,7b,9,12a-tetramethyl-12-oxo-3a,4,4a,5,6,7a,7b,8,8a,9,12,12a,12b,12c-tetradecahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromen-4-yl acetate
    • Picras-2-en-1-one, 13-(acetyloxy)-16-(beta-D-glucopyranosyloxy)-2-methoxy-11,12-(methylenebis(oxy))-, (11alpha,12beta,16alpha)-
    • [17-Methoxy-7,15,19,20-tetramethyl-18-oxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-en-7-yl] acetate
    • DTXSID90929094
    • 135638-54-9
    • 6-(Hexopyranosyloxy)-11-methoxy-4,7b,9,12a-tetramethyl-12-oxo-3a,4,4a,5,6,7a,7b,8,8a,9,12,12a,12b,12c-tetradecahydro-2H-[1,3]dioxolo[3,4]phenanthro[10,1-bc]pyran-4-yl acetate
    • Inchi： 1S/C30H44O13/c1-12-7-15(37-6)25(36)28(3)14(12)8-18-29(4)17(30(5,43-13(2)32)26-23(24(28)29)38-11-39-26)9-19(41-18)42-27-22(35)21(34)20(33)16(10-31)40-27/h7,12,14,16-24,26-27,31,33-35H,8-11H2,1-6H3
    • InChI Key： NLABKWWGROHMBZ-UHFFFAOYSA-N
    • SMILES： O1C(CC2C(C)(C3C(C4C5(C(C(=CC(C)C5CC1C42C)OC)=O)C)OCO3)OC(C)=O)OC1C(C(C(C(CO)O1)O)O)O

Computed Properties

  • Exact Mass: 612.27822
  • Monoisotopic Mass: 612.278
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 6
  • Complexity: 1160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 16
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 180?2

Experimental Properties

  • Density: 1.41
  • Boiling Point: 750.9°C at 760 mmHg
  • Flash Point: 239.1°C
  • Refractive Index: 1.592
  • PSA: 179.67

Picras-2-en-1-one,13-(acetyloxy)-16-(b-D-glucopyranosyloxy)-2-methoxy-11,12-[methylenebis(oxy)]-, (11a,12b,16a)- (9CI) Related Literature

Related Categories

135638-54-9 (Picras-2-en-1-one,13-(acetyloxy)-16-(b-D-glucopyranosyloxy)-2-methoxy-11,12-[methylenebis(oxy)]-, (11a,12b,16a)- (9CI)) Related Products

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