Cas no 115712-88-4 (2H-1a,5-Methano-4H-oxireno[12,13][1,5,10]trioxacyclotetradecino[6,7,8-gh]pyrrolizine-6,15(5H,15aH)-dione,7a,8,9,11,12b,13-hexahydro-5-hydroxy-4,15a-dimethyl-, (7aR,12bR)-)

2H-1a,5-Methano-4H-oxireno[12,13][1,5,10]trioxacyclotetradecino[6,7,8-gh]pyrrolizine-6,15(5H,15aH)-dione,7a,8,9,11,12b,13-hexahydro-5-hydroxy-4,15a-dimethyl-, (7aR,12bR)- structure
115712-88-4 structure
Product Name:2H-1a,5-Methano-4H-oxireno[12,13][1,5,10]trioxacyclotetradecino[6,7,8-gh]pyrrolizine-6,15(5H,15aH)-dione,7a,8,9,11,12b,13-hexahydro-5-hydroxy-4,15a-dimethyl-, (7aR,12bR)-
CAS No:115712-88-4
MF:C18H23NO7
MW:365.377725839615
CID:228068
PubChem ID:15736564
Update Time:2025-04-19

2H-1a,5-Methano-4H-oxireno[12,13][1,5,10]trioxacyclotetradecino[6,7,8-gh]pyrrolizine-6,15(5H,15aH)-dione,7a,8,9,11,12b,13-hexahydro-5-hydroxy-4,15a-dimethyl-, (7aR,12bR)- Chemical and Physical Properties

Names and Identifiers

    • 2H-1a,5-Methano-4H-oxireno[12,13][1,5,10]trioxacyclotetradecino[6,7,8-gh]pyrrolizine-6,15(5H,15aH)-dione,7a,8,9,11,12b,13-hexahydro-5-hydroxy-4,15a-dimethyl-, (7aR,12bR)-
    • 2H-1a,5-Methano-4H-oxireno[12,13][1,5,10]trioxacyclotetradecino[6,7,8-gh]pyrrolizine-6,15(5H,15aH)-dione,7a,8,9,11,12b,13-hex
    • ADONIFOLINE
    • (+)-Adonifoline
    • Senecionan-11,16-dione,12,13:19,20-diepoxy-15,20-dihydro-15-hydroxy-, (12x,13x)-
    • (7aR,12bR)-7a,8,9,11,12b,13-Hexahydro-5-hydroxy-4,15a-dimethyl-2H-1a,5-methano-4H-oxireno[12,13][1,5,10]trioxacyclotetradecino[6,7,8-gh]pyrrolizine-6,15(5H,15aH)-dione
    • AKOS040760047
    • FS-6726
    • (1R,20R)-4-hydroxy-5,10-dimethyl-2,6,9,12-tetraoxa-17-azapentacyclo[12.5.1.14,8.08,10.017,20]henicos-14-ene-3,11-dione
    • 115712-88-4
    • HY-N1918
    • CS-0018229
    • (1R,20R)-4-hydroxy-5,10-dimethyl-2,6,9,12-tetraoxa-17-azapentacyclo[12.5.1.1?,?.0?,(1)?.0(1)?,(2)?]henicos-14-ene-3,11-dione
    • (1R,20R)-4-hydroxy-5,10-dimethyl-2,6,9,12-tetraoxa-17-azapentacyclo(12.5.1.14,8.08,10.017,20)henicos-14-ene-3,11-dione
    • Inchi: 1S/C18H23NO7/c1-10-18(22)8-17(9-24-10)16(2,26-17)14(20)23-7-11-3-5-19-6-4-12(13(11)19)25-15(18)21/h3,10,12-13,22H,4-9H2,1-2H3/t10?,12-,13-,16?,17?,18?/m1/s1
    • InChI Key: MYOFCWPLRKBPJD-AQYQBICXSA-N
    • SMILES: O1C2(C(=O)OCC3=CCN4CC[C@H]([C@H]43)OC(C3(C(C)OCC12C3)O)=O)C

Computed Properties

  • Exact Mass: 365.14700
  • Monoisotopic Mass: 365.14745207g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 0
  • Complexity: 722
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1
  • Topological Polar Surface Area: 97.8?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.46±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (32 g/l) (25 o C),
  • PSA: 97.83000
  • LogP: -0.52520

2H-1a,5-Methano-4H-oxireno[12,13][1,5,10]trioxacyclotetradecino[6,7,8-gh]pyrrolizine-6,15(5H,15aH)-dione,7a,8,9,11,12b,13-hexahydro-5-hydroxy-4,15a-dimethyl-, (7aR,12bR)- Pricemore >>

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2H-1a,5-Methano-4H-oxireno[12,13][1,5,10]trioxacyclotetradecino[6,7,8-gh]pyrrolizine-6,15(5H,15aH)-dione,7a,8,9,11,12b,13-hexahydro-5-hydroxy-4,15a-dimethyl-, (7aR,12bR)- Related Literature

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