(+-)-Praeruptorin A (73069-25-7)

 The systematic name of (+-)-Praeruptorin A is (9R,10R)-10-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl (2Z)-2-methylbut-2-enoate. With the CAS registry number 73069-25-7, it is also named as Praeruptorin A. The product's molecular formula is C₂₁H₂₂O₇ and its molecular weight is 386.40. 

The other characteristics of (+-)-Praeruptorin A can be summarized as: (1)ACD/LogP: 3.97 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 4 ; (4)ACD/LogD (pH 7.4): 4 ; (5)ACD/BCF (pH 5.5): 887 ; (6)ACD/BCF (pH 7.4): 887 ; (7)ACD/KOC (pH 5.5): 4484 ; (8)ACD/KOC (pH 7.4): 4484 ; (9)# bond acceptors: 7 ; (10)H bond donors: 0 ; (11)Freely Rotating Bonds: 5 ; (12)Index of Refraction: 1.574 ; (13)Molar Refractivity: 98.973 cm³ ; (14)Molar Volume: 299.768 cm³ ; (15)Surface Tension: 50.942 dyne/cm ; (16)Density: 1.289 g/cm³ ; (17)Flash Point: 211.534 °C ; (18)Enthalpy of Vaporization: 75.26 kJ/mol ; (19)Boiling Point: 486.817 °C at 760 mmHg ; (20)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C\3Oc2c1c(OC([C@H](OC(=O)\C(=C/C)C)[C@@H]1OC(=O)C)(C)C)ccc2/C=C/3;
(2)InChI:InChI=1/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1;
(3)InChIKey:XGPBRZDOJDLKOT-YRCPKEQFBX;
(4)Std. InChI:InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1;
(5)Std. InChIKey:XGPBRZDOJDLKOT-YRCPKEQFSA-N.