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3,6-Methanobenzofuran-7(6H)-one,4-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-,(3R,3aR,6R,7aR,8R)- (29782-68-1)

Identification
Name:3,6-Methanobenzofuran-7(6H)-one,4-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-,(3R,3aR,6R,7aR,8R)-
Synonyms:3,6-Methanobenzofuran-7(6H)-one,4-(3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl)-2,3,3a,7a-tetrahydro-7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-,[3R-[3a,3ab,4(2R*,3R*),6a,7ab,8R*]]-;3,6-Methanobenzofuran-7(6aH)-one, 2,3a,3aa,7a-tetrahydro-7aa-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-4-(3a,5,7-trihydroxy-4-oxo-2b-chromanyl)-, (+)- (8CI);Silidianin;Silidianine;Silydianin;
CAS:29782-68-1
EINECS: 249-848-5
Molecular Formula: C25H22O10
Molecular Weight: 482.44
InChI: InChI=1/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18+,20+,22?,23-,25-/m1/s1
Molecular Structure: (C25H22O10) 3,6-Methanobenzofuran-7(6H)-one,4-(3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl)-2,3,3a,7...
Properties
Density:1.676g/cm3
Refractive index:1.747
Specification:

The Silydianin, with CAS registry number 29782-68-1, belongs to the following product category: Plant Oils, Toxins, Phenolic Acids & Derivatives. It has the systematic name of 7a-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl)-2,3,3a,7a-tetrahydro-3,6-methano-1-benzofuran-7(6H)-one. And the chemical formula od this chemical is C25H22O10.

Physical properties of Silydianin: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 233; (8)ACD/KOC (pH 7.4): 78; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 162.98 Å2; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 117.002 cm3; (15)Molar Volume: 287.935 cm3; (16)Polarizability: 46.383×10-24cm3; (17)Surface Tension: 93.691 dyne/cm; (18)Enthalpy of Vaporization: 124.803 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc5cc(O)cc6OC(C/1=C/C3C(=O)C2(O)OCC(C\12)C3c4ccc(O)c(OC)c4)C(O)C(=O)c56
(2)InChI: InChI=1/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3
(3)InChIKey: CYGIJEJDYJOUAN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3
(5)Std. InChIKey: CYGIJEJDYJOUAN-UHFFFAOYSA-N

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