CAS No.82508-37-0,Deacetylpseudolaric acid A Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82508-37-0
Name:	Deacetylpseudolaric acid A
Article Data:	2

Formula:	C₂₀H₂₆O₅
Molecular Weight:	346.423
Synonyms:	(2E, 4E)-5-[(3R, 4R, 4αS, 9αR)-4α-Hydroxy-3, 7-dimethyl-1-oxo-3, 4, 4α, 5, 6, 9-hexahydro-4, 9α-ethanocyclohepta[c]pyran-3(1H)-yl]-2-methylpenta-2, 4-dienoic acid;
Density:	1.249 g/cm³
Boiling Point:	569.38 °C at 760 mmHg
Flash Point:	202.266 °C

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Specification

The Deacetylpseudolaric acid A, with the CAS registry number of 82508-37-0, is also known as 2, 4-Pentadienoic acid, 5-[(3R, 4R, 4αS, 9αR)-3, 4, 4α, 5, 6, 9-hexahydro-4α-hydroxy-3, 7-dimethyl-1-oxo-1H-4, 9α-ethanocyclohepta[c]pyran-3-yl]-2-methyl-, (2E, 4E)-. This chemical's molecular formula is C₂₀H₂₆O₅ and molecular weight is 346.4174. What's more, its systematic name is called (2E, 4E)-5-[(3R, 4R, 4αS, 9αR)-4α-Hydroxy-3, 7-dimethyl-1-oxo-3, 4, 4α, 5, 6, 9-hexahydro-4, 9α-ethanocyclohepta[c]pyran-3(1H)-yl]-2-methylpenta-2, 4-dienoic acid.

Physical properties about Deacetylpseudolaric acid A are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 83.83 Å²; (7)Index of Refraction: 1.584; (8)Molar Refractivity: 92.846 cm³; (9)Molar Volume: 277.39 cm³; (10)Surface Tension: 53.326 dyne/cm; (11)Density: 1.249 g/cm³; (12)Flash Point: 202.266 °C; (13)Enthalpy of Vaporization: 98.124 kJ/mol; (14)Boiling Point: 569.38 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1O[C@](\C=C\C=C(\C(=O)O)C)([C@H]3[C@@]2(O)CC\C(=C/C[C@@]12CC3)C)C
(2) InChI: InChI=1/C20H26O5/c1-13-6-10-19-11-8-15(20(19,24)12-7-13)18(3,25-17(19)23)9-4-5-14(2)16(21)22/h4-6,9,15,24H,7-8,10-12H2,1-3H3,(H,21,22)/b9-4+,14-5+/t15-,18+,19+,20-/m0/s1
(3) InChIKey: MQOMHFMKUJFDBH-SWRVIOJRBX