5-[(1R)-1-((11S,7R)-7-Hydroxy-3,3,7,11-tetramethyltricyclo[6.3.0.0<2,4>]undec-11-yl)-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde supplier

Name
2,4,6-Trihydroxy-5-[(1R)-1-[(1aβ,4R,4aβ,7aα,7bβ)-1,1,4,7-tetramethyl-4β-hydroxydecahydro-1H-cyclopropa[e]azulene-7α-yl]-3-methylbutyl]isophthalaldehyde
EINECS
CAS No. 132951-90-7
Density 1.201 g/cm³
Solubility
Melting Point
Formula C₂₈H₄₀O₆
Boiling Point 535.7 °C at 760 mmHg
Molecular Weight 472.613600
Flash Point 291.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Macrocarpal A;
PSA 115.06000
LogP 5.40760

5-[(1R)-1-((11S,7R)-7-Hydroxy-3,3,7,11-tetramethyltricyclo[6.3.0.0<2,4>]undec-11-yl)-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde Specification

The 5-[(1R)-1-((11S,7R)-7-Hydroxy-3,3,7,11-tetramethyltricyclo[6.3.0.0<2,4>]undec-11-yl)-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde, with the CAS registry number of 132951-90-7, is also known as Macrocarpal A. Its molecular formula is C₂₈H₄₀O₆ and molecular weight is 472.613600. What's more, its IUPAC name is 5-[(1R)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-Hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde.

Physical properties about the 5-[(1R)-1-((11S,7R)-7-Hydroxy-3,3,7,11-tetramethyltricyclo[6.3.0.0<2,4>]undec-11-yl)-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde are: (1)ACD/LogP: 9.25; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 71.06 Å²; (7)Index of Refraction: 1.595; (8)Molar Refractivity: 133.78 cm³; (9)Molar Volume: 393.5 cm³; (10)Surface Tension: 51.9 dyne/cm; (11)Density: 1.201 g/cm³; (12)Flash Point: 291.8 °C; (13)Enthalpy of Vaporization: 85.49 kJ/mol; (14)Boiling Point: 535.7 °C at 760 mmHg; (15)Vapour Pressure: 2.63E-12 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@@H]([C@]3(CC[C@H]2[C@](O)(CC[C@@H]4[C@H]([C@@H]23)C4(C)C)C)C)CC(C)C
(2) InChI: InChI=1/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18-,19+,21-,22-,27-,28-/m1/s1
(3) InChIKey: IBLPTYJTKWQCDX-MOTAWSDJBV

Product Name

2,4,6-Trihydroxy-5-[(1R)-1-[(1aβ,4R,4aβ,7aα,7bβ)-1,1,4,7-tetramethyl-4β-hydroxydecahydro-1H-cyclopropa[e]azulene-7α-yl]-3-methylbutyl]isophthalaldehyde

5-[(1R)-1-((11S,7R)-7-Hydroxy-3,3,7,11-tetramethyltricyclo[6.3.0.0<2,4>]undec-11-yl)-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde Specification

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