Cas no 639-11-2 (4α,9-Epoxycevane-3β,4,7α,14,15α,16β,20-heptol 7-acetate 15-[(R)-2-methylbutanoate]3-[(Z)-2-methyl-2-butenoate])

4α,9-Epoxycevane-3β,4,7α,14,15α,16β,20-heptol 7-acetate 15-[(R)-2-methylbutanoate]3-[(Z)-2-methyl-2-butenoate] structure
639-11-2 structure
Product Name:4α,9-Epoxycevane-3β,4,7α,14,15α,16β,20-heptol 7-acetate 15-[(R)-2-methylbutanoate]3-[(Z)-2-methyl-2-butenoate]
CAS No:639-11-2
MF:C39H59NO11
MW:717.897g/molg/mol
CID:511158
PubChem ID:101306698
Update Time:2024-02-29

4α,9-Epoxycevane-3β,4,7α,14,15α,16β,20-heptol 7-acetate 15-[(R)-2-methylbutanoate]3-[(Z)-2-methyl-2-butenoate] Chemical and Physical Properties

Names and Identifiers

    • Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 7-acetate 15-[(2R)-2-methylbutanoate]3-[(2Z)-2-methyl-2-butenoate], (3b,4a,7a,15a,16b)-
    • 4α,9-Epoxycevane-3β,4,7α,14,15α,16β,20-heptol 7-acetate 15-[(R)-2-methylbutanoate]3-[(Z)-2-methyl-2-butenoate]
    • Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 7-acetate 15-[(2R)-2-methylbutanoate]3-[(2Z)-2-methyl-2-butenoate], (3b,4a,7a,15a
    • 2H-4,16a-Epoxybenzo[7,8]fluoreno[2,1-b]quinolizine,cevane-3,4,7,14,15,16,20-heptol deriv.
    • Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 7-acetate 15-(2-methylbutanoate) 3-(2-methyl-2-butenoate), [3b(Z),4a,7a,15a(R),16b]-
    • Cevane-3b,4b,7a,14,15a,16b,20-heptol, 4,9-epoxy-, 7-acetate 15-((-)-2-methylbutyrate)3-(2-methylcrotonate), (Z)- (8CI)
    • Germanitrin
    • Germanitrine
    • CID 101306698
    • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 7-acetate 15-[(2R)-2-methylbutanoate] 3-[(2Z)-2-methyl-2-butenoate], (3β,4α,7α,15α,16β)-
    • 639-11-2
    • DTXSID801346762
    • Inchi： 1S/C39H59NO11/c1-9-20(4)33(43)49-28-13-14-35(7)26-15-25(48-22(6)41)31-37(35,51-39(26,28)47)16-24-23-18-40-17-19(3)11-12-27(40)36(8,45)29(23)30(42)32(38(24,31)46)50-34(44)21(5)10-2/h9,19,21,23-32,42,45-47H,10-18H2,1-8H3/b20-9-/t19-,21+,23-,24-,25+,26-,27-,28-,29+,30+,31+,32-,35-,36+,37+,38-,39-/m0/s1
    • InChI Key： JDCJBUJXKILORV-ALXDFGSNSA-N
    • SMILES： O1[C@@]2([C@H](CC[C@@]3(C)[C@@H]2C[C@H]([C@H]2[C@@]4([C@H]([C@@H]([C@@H]5[C@@](C)([C@@H]6CC[C@H](C)CN6C[C@H]5[C@@H]4C[C@]132)O)O)OC([C@H](C)CC)=O)O)OC(C)=O)OC(/C(=C\C)/C)=O)O

Computed Properties

  • Exact Mass: 717.409
  • Monoisotopic Mass: 717.409
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 51
  • Rotatable Bond Count: 9
  • Complexity: 1490
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 17
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 172
  • XLogP3: 3.3

4α,9-Epoxycevane-3β,4,7α,14,15α,16β,20-heptol 7-acetate 15-[(R)-2-methylbutanoate]3-[(Z)-2-methyl-2-butenoate] Related Literature

Related Categories

639-11-2 (4α,9-Epoxycevane-3β,4,7α,14,15α,16β,20-heptol 7-acetate 15-[(R)-2-methylbutanoate]3-[(Z)-2-methyl-2-butenoate]) Related Products

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