Cas no 101559-98-2 (Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI))

Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI) structure
101559-98-2 structure
Product Name:Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI)
CAS No:101559-98-2
MF:C36H48O18
MW:768.755533218384
CID:172307
PubChem ID:74029649
Update Time:2025-04-19

Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI)
    • Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12
    • 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acidderiv.
    • Picras-3-en-21-oicacid, 15-[[4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, [11b,12a,15b(E)]-
    • Yadanzioside K
    • B0005-267638
    • 101559-98-2
    • Methyl 3-(4-acetyloxy-3,4-dimethylpent-2-enoyl)oxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
    • F92739
    • CS-0110677
    • HY-133096
    • Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(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-9-ene-17-carboxylate
    • Inchi： 1S/C36H48O18/c1-13(33(4,5)54-15(3)38)8-20(40)52-26-28-35-12-49-36(28,32(47)48-7)29(45)24(44)27(35)34(6)10-17(39)25(14(2)16(34)9-19(35)51-30(26)46)53-31-23(43)22(42)21(41)18(11-37)50-31/h8,16,18-19,21-24,26-29,31,37,41-45H,9-12H2,1-7H3
    • InChI Key： YJWLVGXIHBVPPC-UHFFFAOYSA-N
    • SMILES： O1CC23C4CC5C(C)=C(C(CC5(C)C2C(C(C1(C(=O)OC)C3C(C(=O)O4)OC(C=C(C)C(C)(C)OC(C)=O)=O)O)O)=O)OC1C(C(C(C(CO)O1)O)O)O

Computed Properties

  • Exact Mass: 272.08309
  • Monoisotopic Mass: 768.28406468g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 11
  • Complexity: 1670
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 15
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: -1
  • Topological Polar Surface Area: 271?2

Experimental Properties

  • Color/Form: Powder
  • PSA: 52.54

Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI) Security Information

Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI) Pricemore >>

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Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI)
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Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI) Related Literature

Related Categories

101559-98-2 (Picras-3-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3-(b-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI)) Related Products

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