Cas no 124-97-0 (Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2R,3R)-2,3-dihydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)-)

Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2R,3R)-2,3-dihydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)- structure
124-97-0 structure
Product Name:Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2R,3R)-2,3-dihydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)-
CAS No:124-97-0
MF:C41H63NO15
MW:809.936634302139
CID:152784
PubChem ID:222158
Update Time:2025-04-19

Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2R,3R)-2,3-dihydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)- Chemical and Physical Properties

Names and Identifiers

    • Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2R,3R)-2,3-dihydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)-
    • Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2R,3R)-2,3-dihydroxy-2-methylbutanoate]15-[(2R)-2-methylbutano
    • PROTOVERATRINE B
    • 6,7-diacetate3-(threo-(+)-2,3-dihydroxy-2-methylbutyrate)15-((-)-2-methylbut
    • neoprotoveratrin
    • NEOPROTOVERATRINE
    • PROTOVERATRINE A (RG)(CALL)
    • veratetrin
    • PROTOVERATRINE B (RG)
    • 4-beta,6-alpha,7-alpha,14,15-alpha-16-beta,20-octol,4,9-epoxy-cevane-3-bet
    • 4α,9-Epoxycevane-3β,4β,6α,7α,14,15α,16β,20-octol 6,7-diacetate 3-[(2R,3R)-2,3-dihydroxy-2-methylbutanoate]15-[(R)-2-methylbutanoate]
    • yrate)
    • NSC7527
    • CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 3-((2R,3R)-2,3-DIHYDROXY-2-METHYLBUTANOATE) 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-
    • NSC 7527
    • [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-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] (2R,3R)-2,3-dihydroxy-2-methylbutanoate
    • CHEMBL2165398
    • 4-21-00-06847 (Beilstein Handbook Reference)
    • Veratetrine
    • 124-97-0
    • Cevane-3beta,4beta,6alpha,7alpha,14,15alpha,16beta,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(threo-(+)-2,3-dihydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)
    • BRN 0077630
    • Cevane-3-beta,4-beta,6-alpha,7-alpha,14,15-alpha-16-beta,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(threo-(+)-2,3-dihydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)
    • UNII-AK816144R9
    • PROTOVERATRINE B [WHO-DD]
    • Cryptenamine
    • DTXSID401043045
    • NSC-7527
    • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2,3-dihydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(2R,3R),4alpha,6alpha,7alpha,15alpha(R),16beta)-
    • (3beta(2R,3R),4alpha,6alpha,7alpha,15alpha(R),16beta)-4,9-Epoxycevane-3,4,6,7,14,15,16,20-octol 6,7-diacetate 3-(2,3-dihydroxy-2-methylbutyrate) 15-(2-methylbutyrate)
    • EINECS 204-719-2
    • AK816144R9
    • PROTOVERATRINE B [MI]
    • Inchi： 1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37+,38+,39+,40-,41+/m0/s1
    • InChI Key： BFLXOMFFVWQPAZ-CEEVVQPDSA-N
    • SMILES： O1[C@@]2([C@H](CC[C@@]3(C)[C@@H]2[C@H]([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)=O)OC([C@@](C)([C@@H](C)O)O)=O)O

Computed Properties

  • Exact Mass: 809.42000
  • Monoisotopic Mass: 809.41977030g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 57
  • Rotatable Bond Count: 12
  • Complexity: 1660
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 20
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 239

Experimental Properties

  • Color/Form: Not available
  • Density: 1.1826 (rough estimate)
  • Melting Point: 268-270°C
  • Boiling Point: 755.18°C (rough estimate)
  • Refractive Index: 1.6220 (estimate)
  • PSA: 239.05000
  • LogP: 0.51590
  • Specific Rotation: D25 -37° (pyridine); D25 -3.5° (chloroform)
  • Solubility: Not available

Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2R,3R)-2,3-dihydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)- Security Information

  • Hazardous Material transportation number：UN 1544
  • WGK Germany：3
  • Safety Instruction： S22
  • RTECS：FL5750000
  • HazardClass：6.1(a)
  • PackingGroup：II
  • Toxicity：LD50 s.c. in male mice: 0.21 mg/kg (Tanaka)
  • Packing Group：II
  • Safety Term：6.1(a)
  • Packing Group：II
  • Hazard Level：6.1(a)

Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2R,3R)-2,3-dihydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)- Related Literature

Related Categories

124-97-0 (Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2R,3R)-2,3-dihydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)-) Related Products

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