Cas no 508-67-8 (Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 3-[(2S)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate],(3b,4a,7a,15a,16b)-)

Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 3-[(2S)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate],(3b,4a,7a,15a,16b)- structure
508-67-8 structure
Product Name:Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 3-[(2S)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate],(3b,4a,7a,15a,16b)-
CAS No:508-67-8
MF:C37H59NO11
MW:693.86447262764
CID:371485
PubChem ID:91800232
Update Time:2025-04-19

Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 3-[(2S)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate],(3b,4a,7a,15a,16b)- Chemical and Physical Properties

Names and Identifiers

    • Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 3-[(2S)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate],(3b,4a,7a,15a,16b)-
    • Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 3-[(2S)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate],(3b,4a,7a,15a,16
    • Germerine
    • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(S),4alpha,7alpha,15alpha(R),16beta)-
    • 9V3T5CCW5U
    • CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 3-((2S)-2-HYDROXY-2-METHYLBUTANOATE) 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-
    • Q27273265
    • CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 3-(2-HYDROXY-2-METHYLBUTANOATE) 15-(2-METHYLBUTANOATE), (3.BETA.(S),4.ALPHA.,7.ALPHA.,15.ALPHA.(R),16.BETA.)-
    • CEVANE-3.BETA.,4.BETA.,7.ALPHA.,14,15.ALPHA.,16.BETA.,20-HEPTOL, 4,9-EPOXY-, 15-((+)-2-HYDROXY-2-METHYLBUTYRATE) 3-((-)-2-METHYLBUTYRATE)
    • [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23R,25R)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
    • 508-67-8
    • UNII-9V3T5CCW5U
    • Inchi： 1S/C37H59NO11/c1-8-19(4)30(41)48-29-27(40)26-20(17-38-16-18(3)10-11-24(38)34(26,7)44)21-15-35-28(36(21,29)45)22(39)14-23-32(35,5)13-12-25(37(23,46)49-35)47-31(42)33(6,43)9-2/h18-29,39-40,43-46H,8-17H2,1-7H3/t18-,19+,20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,32-,33-,34+,35+,36-,37+/m0/s1
    • InChI Key： JOBMMOBXVRRLOS-BZMUIYTCSA-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)O)OC([C@](C)(CC)O)=O)O

Computed Properties

  • Exact Mass: 693.408812
  • Monoisotopic Mass: 693.408812
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 8
  • Complexity: 1370
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 13
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 186
  • XLogP3: 2

Experimental Properties

  • Density: 1.35
  • Boiling Point: 786.8°Cat760mmHg
  • Flash Point: 429.6°C
  • Refractive Index: 1.611

Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 3-[(2S)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate],(3b,4a,7a,15a,16b)- Related Literature

Related Categories

508-67-8 (Cevane-3,4,7,14,15,16,20-heptol,4,9-epoxy-, 3-[(2S)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate],(3b,4a,7a,15a,16b)-) Related Products

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