ChemSpider 2D Image | 2D5AUV13AX | C37H56O10

2D5AUV13AX

  • Molecular FormulaC37H56O10
  • Average mass660.834 Da
  • Monoisotopic mass660.387329 Da
  • ChemSpider ID9149568

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1'R,2S,4aR,5'R,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-1,1,5',7a,8,12a-Hexamethyl-2-(β-D-xylopyranosyloxy)hexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3, 6]dioxabicyclo[3.1.0]hexan]-7-yl acetate [ACD/IUPAC Name]
(1'R,2S,4aR,5'R,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-1,1,5',7a,8,12a-Hexamethyl-2-(β-D-xylopyranosyloxy)hexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-7-yl acetate
23-epi-26-deoxyactein
264624-38-6 [RN]
26-deoxyactein
27-DEOXYACTEIN
2D5AUV13AX
β-D-Xylopyranoside, (1'R,2S,4aR,5'R,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-7-(acetyloxy)hexadecahydro-1,1,5',7a,8,12a-hexamethylspiro[5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]pyran-10 (2H),2'-[3,6]dioxabicyclo[3.1.0]hexan]-2-yl [ACD/Index Name]
β-D-xylopyranoside, (1'R,2S,4aR,5'R,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-7-(acetyloxy)hexadecahydro-1,1,5',7a,8,12a-hexamethylspiro[5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]pyran-10(2H),2'-[3,6]dioxabicyclo[3.1.0]hexan]-2-yl
27-Deoxyactein|23-epi-26-Deoxyactein
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.600
    Molar Refractivity: 170.0±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 3
    ACD/LogP: 5.67
    ACD/LogD (pH 5.5): 5.08
    ACD/BCF (pH 5.5): 4271.11
    ACD/KOC (pH 5.5): 13814.48
    ACD/LogD (pH 7.4): 5.08
    ACD/BCF (pH 7.4): 4271.09
    ACD/KOC (pH 7.4): 13814.41
    Polar Surface Area: 136 Å2
    Polarizability: 67.4±0.5 10-24cm3
    Surface Tension: 58.5±5.0 dyne/cm
    Molar Volume: 497.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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