Cas no 214146-75-5 (26-Deoxycimicifugoside)

26-Deoxycimicifugoside structure
26-Deoxycimicifugoside structure
Product Name:26-Deoxycimicifugoside
CAS No:214146-75-5
MF:C37H54O10
MW:658.818672657013
CID:242814
PubChem ID:72941763
Update Time:2025-09-24

26-Deoxycimicifugoside Chemical and Physical Properties

Names and Identifiers

    • b-D-Xylopyranoside, (3b,12b,16b,23S,24R,25R)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanost-7-en-3-yl
    • 26-Deoxycimicifugoside
    • DEOXYCIMICIFUGOSIDE, 26-(SH)
    • DEOXYCIMICIFUGOSIDE, 26-(SH)(PLEASE CALL)
    • 7,8-Didehydro-27-deoxyactein
    • UNII-9H7XN615A3
    • [1,4',6',12',17',17'-Hexamethyl-18'-(3,4,5-trihydroxyoxan-2-yl)oxyspiro[3,6-dioxabicyclo[3.1.0]hexan
    • HY-N5088
    • AKOS040760206
    • 26-DEOXYCIMICIFUGOSIDE, (-)-
    • 9H7XN615A3
    • MS-31005
    • CS-0032406
    • beta-D-Xylopyranoside, (3beta,12beta,16beta,23S,24R,25R)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanost-7-en-3-yl
    • .BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,23S,24R,25R)-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-9,19-CYCLOLANOST-7-EN-3-YL
    • Q27272561
    • 26-DEOXYCIMICIFUGOSIDE (CONSTITUENT OF BLACK COHOSH)
    • PD171926
    • [(1R,1'S,3'R,4S,4'R,5R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetate
    • 26-DEOXYCIMICIFUGOSIDE (CONSTITUENT OF BLACK COHOSH) [DSC]
    • 214146-75-5
    • (-)-26-Deoxycimicifugoside
    • DA-69726
    • Inchi: 1S/C37H54O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h9,18,20-22,24-30,39-41H,8,10-17H2,1-7H3/t18-,20-,21+,22+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1
    • InChI Key: PBKJAWKRZRAQQO-YTGDHQJGSA-N
    • SMILES: O1[C@]2([C@H]3[C@@](C)(CO2)O3)C[C@@H](C)[C@H]2[C@@H]1C[C@]1(C)[C@]2(C)[C@@H](C[C@]23C1=CC[C@H]1C(C)(C)[C@H](CC[C@]21C3)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)OC(C)=O

Computed Properties

  • Exact Mass: 658.37200
  • Monoisotopic Mass: 658.37169792 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 4
  • Complexity: 1410
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 13
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 136
  • Molecular Weight: 658.8
  • XLogP3: 3.1

Experimental Properties

  • Color/Form: Powder
  • Density: 1.34±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 260-262 oC (acetonitrile water )
  • Solubility: Insuluble (8.6E-3 g/L) (25 oC),
  • PSA: 136.44000
  • LogP: 3.63030

26-Deoxycimicifugoside Pricemore >>

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