Cas no 23506-96-9 (2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,5-ethyl-4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3-(1-methylethyl)-,(3R,4R,5R,13aR,13bR)- (9CI))

2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,5-ethyl-4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3-(1-methylethyl)-,(3R,4R,5R,13aR,13bR)- (9CI) structure
23506-96-9 structure
Product Name:2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,5-ethyl-4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3-(1-methylethyl)-,(3R,4R,5R,13aR,13bR)- (9CI)
CAS No:23506-96-9
MF:C18H27NO6
MW:353.410085916519
CID:277075
PubChem ID:179398
Update Time:2025-04-19

2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,5-ethyl-4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3-(1-methylethyl)-,(3R,4R,5R,13aR,13bR)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,5-ethyl-4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3-(1-methylethyl)-,(3R,4R,5R,13aR,13bR)- (9CI)
    • 12-Ethyl-14,19-dihydro-12ξ,13ξ-dihydroxy-19-methyl-17,18-dinorcrotalanan-11,15-dione
    • 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,5-ethyl-4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3-(1-met
    • I-dihydroxy-19-methyl-17,18-dinorcrotalanan-11,15-dione
    • 12-Ethyl-14,19-dihydro-12
    • (1R, 4R, 5R, 6R, 16R)-6-ethyl-5, 6-dihydroxy-4-propan-2-yl-2, 8-dioxa-13-azatricyclo[8.5.1.013, 16]hexadec-10-ene-3, 7-dione
    • 17,18-Dinorcrotalanan-11,15-dione, 12-ethyl-14,19-dihydro-12,13-dihydroxy-19-methyl-, (12x,13x)-
    • AKOS040735256
    • Axillaridine
    • (1R,4R,5R,6R,16R)-6-ethyl-5,6-dihydroxy-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
    • 119565-25-2
    • 23506-96-9
    • I,13
    • Inchi： 1S/C18H27NO6/c1-4-18(23)15(20)13(10(2)3)16(21)25-12-6-8-19-7-5-11(14(12)19)9-24-17(18)22/h5,10,12-15,20,23H,4,6-9H2,1-3H3/t12-,13-,14-,15-,18-/m1/s1
    • InChI Key： PHBXHCOARFTKGZ-VFCJXBEMSA-N
    • SMILES： O1C([C@H](C(C)C)[C@H]([C@@](C(=O)OCC2=CCN3CC[C@@H]1[C@H]32)(CC)O)O)=O

Computed Properties

  • Exact Mass: 353.18391
  • Monoisotopic Mass: 353.183838
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 588
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 96.3

Experimental Properties

  • Color/Form: Cryst.
  • Density: 1.29
  • Boiling Point: 559.1°Cat760mmHg
  • Flash Point: 291.9°C
  • Refractive Index: 1.57
  • PSA: 96.3

2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,5-ethyl-4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3-(1-methylethyl)-,(3R,4R,5R,13aR,13bR)- (9CI) Related Literature

Related Categories

23506-96-9 (2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,5-ethyl-4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3-(1-methylethyl)-,(3R,4R,5R,13aR,13bR)- (9CI)) Related Products

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