Macrocarpal E supplier | CasNO.142628-54-4

Name
Macrocarpal E
EINECS
CAS No. 142628-54-4
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₂₈H₄₀O₆
Boiling Point 552 °C at 760 mmHg
Molecular Weight 472.6136
Flash Point 301.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Benzenedicarboxaldehyde,2,4,6-trihydroxy-5-[3-methyl-1-[1,2,3,4,6,7,8,8a-octahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]butyl]-;
PSA 115.06000
LogP 5.71780

Macrocarpal E Specification

The Macrocarpal E, with the CAS registry number 142628-54-4, is also known as 2, 4, 6-Trihydroxy-5-(1-(8-(1-hydroxy-isopropyl)-1, 5-dimethylbicyclo(4.4.0)dec-6-en-2-yl)-3-methylbutyl)benzene-1, 3-dicarbaldehyde. This chemical's molecular formula is C₂₈H₄₀O₆ and molecular weight is 472.6136. What's more, its IUPAC name is 2, 4, 6-Trihydroxy-5-[1-[6-(2-hydroxypropan-2-yl)-4, 8a-dimethyl-2, 3, 4, 6, 7, 8-hexahydro-1H-naphthalen-1-yl]-3-methylbutyl]benzene-1, 3-dicarbaldehyde.

Physical properties about Macrocarpal E are: (1)ACD/LogP: 9.11; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 71.06 Å²; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 130.92 cm³; (9)Molar Volume: 389.1 cm³; (10)Polarizability: 51.9×10^-24 cm³; (11)Surface Tension: 56.9 dyne/cm; (12)Density: 1.21 g/cm³; (13)Flash Point: 301.7 °C; (14)Enthalpy of Vaporization: 87.61 kJ/mol; (15)Boiling Point: 552 °C at 760 mmHg; (16)Vapour Pressure: 5.07E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1c(O)c(c(O)c(C=O)c1O)C(CC(C)C)C3CCC(/C2=C/C(CCC23C)C(O)(C)C)C
(2) InChI: InChI=1/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h12-18,21,31-34H,7-11H2,1-6H3
(3) InChIKey: XJNGQIYBMXBCRU-UHFFFAOYAE

Product Name

Macrocarpal E

Macrocarpal E Specification

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