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26359-43-3

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Basic Information
CAS No.: 26359-43-3
Name: 3-Phorbinepropanoicacid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-
Molecular Structure:
Molecular Structure of 26359-43-3 (3-Phorbinepropanoicacid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-)
Formula: C33H34N4O3
Molecular Weight: 534.65796
Synonyms: 3-Phorbinepropionicacid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo- (8CI);Phylloerythrine (6CI,7CI);Phylloerythrin;
EINECS:
Density: 1.33 g/cm3
Melting Point:
Boiling Point: 1110.8 °C at 760 mmHg
Flash Point: 625.6 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 110.67000
LogP: 3.55330
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  • 3-Phorbinepropanoicacid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-

  • Casno:

    26359-43-3

    3-Phorbinepropanoicacid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-

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  • PHYLLOERYTHRIN

  • Casno:

    26359-43-3

    PHYLLOERYTHRIN

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Specification

The CAS register number of 3-Phorbinepropanoicacid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo- is 26359-43-3. It also can be called as Phylloerythrin and the systematic name about this chemical is 3-(9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3,4-didehydro-24,25-dihydrophorbin-3-yl)propanoic acid. The molecular formula about this chemical is C33H34N4O3 and the molecular weight is 534.65796.

Physical properties about 3-Phorbinepropanoicacid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-20-oxo- are: (1)ACD/LogP: 7.60; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 79.01 Å2; (7)Index of Refraction: 1.67; (8)Molar Refractivity: 149.51 cm3; (9)Molar Volume: 399.9 cm3; (10)Polarizability: 59.27x10-24cm3; (11)Surface Tension: 72.4 dyne/cm; (12)Density: 1.33 g/cm3; (13)Flash Point: 625.6 °C; (14)Enthalpy of Vaporization: 171.11 kJ/mol; (15)Boiling Point: 1110.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC=6c2nc(cc5c(c(c(cc1c(c(c(n1)cc\3nc4c2CC(=O)\C4=C/3C)CC)C)n5)CC)C)C=6C
(2)InChI: InChI=1/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h12-14,34-35H,7-11H2,1-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-
(3)InChIKey: USUXZIXOWFMLFE-KCRGODDBBQ
(4)Std. InChI: InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h12-14,34-35H,7-11H2,1-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-
(5)Std. InChIKey: USUXZIXOWFMLFE-KCRGODDBSA-N