Cas no 103839-22-1 (Picrasa-3,13(21)-dien-16-one,11,20-epoxy-1,2,11,12-tetrahydroxy-6-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, (1b,2a,6a,11b,12a)-)

Picrasa-3,13(21)-dien-16-one,11,20-epoxy-1,2,11,12-tetrahydroxy-6-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, (1b,2a,6a,11b,12a)- structure
103839-22-1 structure
Product Name:Picrasa-3,13(21)-dien-16-one,11,20-epoxy-1,2,11,12-tetrahydroxy-6-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, (1b,2a,6a,11b,12a)-
CAS No:103839-22-1
MF:C25H32O9
MW:476.516188621521
CID:215149
PubChem ID:124849
Update Time:2025-04-19

Picrasa-3,13(21)-dien-16-one,11,20-epoxy-1,2,11,12-tetrahydroxy-6-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, (1b,2a,6a,11b,12a)- Chemical and Physical Properties

Names and Identifiers

    • Picrasa-3,13(21)-dien-16-one,11,20-epoxy-1,2,11,12-tetrahydroxy-6-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, (1b,2a,6a,11b,12a)-
    • 13,18-dehydro-6alpha-senecioyloxychaparrin
    • 13,18-Dsoc
    • (1beta,2alpha,6alpha,11alpha,12alpha)-1,2,11,12-tetrahydroxy-16-oxo-11,20-epoxypicrasa-3,13(21)-dien-6-yl 3-methylbut-2-enoate
    • Picrasa-3,13(21)-dien-16-one, 11,20-epoxy-1,2,11,12-trihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-, (1beta,2alpha,6alpha,11beta,12alpha)-
    • 1,2,11,12-Tetrahydroxy-16-oxo-11,20-epoxypicrasa-3,13(21)-dien-6-yl 3-methylbut-2-enoate
    • CHEMBL462908
    • Chaparrin, 13,18-dehydro-6alpha-senecioyloxy-
    • DTXSID90908627
    • 103839-22-1
    • [(1S,4R,5R,7S,11S,12R,13S,16S,17S,18S,19R)-4,5,16,17-Tetrahydroxy-14,18-dimethyl-6-methylidene-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate
    • Inchi： 1S/C25H32O9/c1-10(2)6-15(27)33-18-17-11(3)7-14(26)20(30)23(17,5)22-24-9-32-25(22,31)19(29)12(4)13(24)8-16(28)34-21(18)24/h6-7,13-14,17-22,26,29-31H,4,8-9H2,1-3,5H3/t13-,14-,17+,18+,19+,20+,21+,22+,23+,24+,25-/m0/s1
    • InChI Key： UDYDQIYSNNAQSU-YSSSMICESA-N
    • SMILES： O1C[C@@]23[C@H]4CC(=O)O[C@@H]2[C@@H]([C@H]2C(C)=C[C@@H]([C@H]([C@]2(C)[C@H]3[C@@]1([C@@H](C4=C)O)O)O)O)OC(/C=C(\C)/C)=O

Computed Properties

  • Exact Mass: 476.20466
  • Monoisotopic Mass: 476.20463259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 3
  • Complexity: 1030
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: -0.4
  • Topological Polar Surface Area: 143?2

Experimental Properties

  • PSA: 142.75

Picrasa-3,13(21)-dien-16-one,11,20-epoxy-1,2,11,12-tetrahydroxy-6-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, (1b,2a,6a,11b,12a)- Related Literature

Related Categories

103839-22-1 (Picrasa-3,13(21)-dien-16-one,11,20-epoxy-1,2,11,12-tetrahydroxy-6-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, (1b,2a,6a,11b,12a)-) Related Products

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