Chemical Properties of Nicolaioidesin A

Nicolaioidesin A

InChI
InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3
InChI Key
LYDZCXVWCFJAKQ-UHFFFAOYSA-N
Formula
C26H30O4
SMILES
COc1cc(O)c(C(=O)C2C(CC=C(C)C)C(C)=CCC2c2ccccc2)c(O)c1
Molecular Weight1
406.52
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Physical Properties

Property Value Unit Source
ΔfusH° 58.84 kJ/mol Joback Calculated Property
logPoct/wat 6.012 Crippen Calculated Property
McVol 329.400 ml/mol McGowan Calculated Property
Inp [3083.10; 3083.10]   Show Hide
Inp 3083.10 NIST
Inp 3083.10 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [443.82; 1106.16] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.04759e+02
Coefficient B2.44808e+00
Coefficient C-1.74552e-03
Coefficient D5.08360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 443.82 J/mol×K 273.00 Calculated Property
Cp,gas 565.36 J/mol×K 353.78 Calculated Property
Cp,gas 671.16 J/mol×K 434.56 Calculated Property
Cp,gas 762.84 J/mol×K 515.33 Calculated Property
Cp,gas 841.99 J/mol×K 596.11 Calculated Property
Cp,gas 910.22 J/mol×K 676.89 Calculated Property
Cp,gas 969.15 J/mol×K 757.67 Calculated Property
Cp,gas 1020.37 J/mol×K 838.44 Calculated Property
Cp,gas 1065.51 J/mol×K 919.22 Calculated Property
Cp,gas 1106.16 J/mol×K 1000.00 Calculated Property

Similar Compounds

Panduratin A. Nicolaioidesin B. Nicolaioidesin C. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Nalmefene, bis(trifluoroacetate). Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. 6-Tetrahydrocannabinol, TMS. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Guanosine, N-trimethylsilyl-, 2',3',5'-tris(trimethylsilyl) ether. BUPRENORPHINE. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-isopropylsilyl. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Hydromorphone, tert-butyldimethylsilyl ether.

Find more compounds similar to Nicolaioidesin A.

Sources

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