Name: 2-Hydroxyeupatolide
SKU: 72229-33-5

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Basic Information

Molecular Structure:
CAS No.:	72229-33-5
Name:	2-Hydroxyeupatolide

Formula:	C₁₅H₂₀O₄
Molecular Weight:	264.321
Synonyms:	Cyclodeca[b]furan-2(3H)-one,3a,4,5,8,9,11a-hexahydro-4,8-dihydroxy-6,10-dimethyl-3-methylene-,[3aR-(3aR,4R,6E,8S,10E,11aR)]-;2a,8b-Dihydroxycostunolide;2a-Hydroxyeupatolide;
Density:	1.198 g/cm³
Boiling Point:	496.262 °C at 760 mmHg
Flash Point:	186.907 °C
PSA:	66.76000
LogP:	1.49240

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Specification

This chemical is called 2-Hydroxyeupatolide, and its systematic name is (3aR,4R,6E,8S,10E,11aR)-4,8-dihydroxy-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one. With the molecular formula of C₁₅H₂₀O₄, its molecular weight is 264.32. The CAS registry number of this chemical is 72229-33-5.

Other characteristics of the 2-Hydroxyeupatolide can be summarised as followings: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.88; (5)ACD/KOC (pH 7.4): 2.88; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 66.76 Å²; (10)Index of Refraction: 1.558; (11)Molar Refractivity: 71.155 cm³; (12)Molar Volume: 220.567 cm³; (13)Polarizability: 28.208×10^-24cm³; (14)Surface Tension: 46.634 dyne/cm; (15)Density: 1.198 g/cm³; (16)Flash Point: 186.907 °C; (17)Enthalpy of Vaporization: 87.995 kJ/mol; (18)Boiling Point: 496.262 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/[C@H](C1)O)/C)O)C(=C)C(=O)O2
2.InChI: InChI=1/C15H20O4/c1-8-4-11(16)5-9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h4,7,11-14,16-17H,3,5-6H2,1-2H3/b8-4+,9-7+/t11-,12-,13-,14-/m1/s1
3.InChIKey: FGJATCOCAOQTBA-VQWQNFJWBL