8-Gingerol supplier | CasNO.30462-35-2

Name
8-Gingerol
EINECS
CAS No. 30462-35-2
Article Data5
CAS DataBase
Density 1.978 g/cm³
Solubility
Melting Point 226～230℃
Formula C₄₃H₃₂O₂₀
Boiling Point 1352.64 °C at 760 mmHg
Molecular Weight 868.715
Flash Point 411.033 °C
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 3,4,5-trihydroxy-,(3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis(3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl)ester, [2R-[2a(2R*,3R*),3a]]-;Benzoic acid,3,4,5-trihydroxy-, (3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl]ester (9CI);Theaflavin 3;Theaflavin 3,3'-di-O-gallate;Theaflavin3,3'-digallate;
PSA 351.12000
LogP 4.17640

8-Gingerol Specification

The 8-Gingerol, with the CAS registry number 30462-35-2, is also known as Theaflavin 3,3'-di-O-gallate. It belongs to the product categories of Miscellaneous Natural Products; The Group of Ginerols. This chemical's molecular formula is C₄₃H₃₂O₂₀ and molecular weight is 868.70. What's more, its systematic name is called [(2R,3R)-3-[1-[5,7-Dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-chroman-3-yl]-3,4,6-trihydroxy-5-oxo-benzo[7]annulen-8-yl]-5,7-dihydroxy-chroman-2-yl] 3,4,5-trihydroxybenzoate.

Physical properties about 8-Gingerol are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 35.18; (6)ACD/BCF (pH 7.4): 5.57; (7)ACD/KOC (pH 5.5): 437.71; (8)ACD/KOC (pH 7.4): 69.36; (9)#H bond acceptors: 20; (10)#H bond donors: 13; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 351.12 Å²; (13)Index of Refraction: 1.912; (14)Molar Refractivity: 206.118 cm³; (15)Molar Volume: 439.077 cm³; (16)Polarizability: 81.711×10^-24cm³; (17)Surface Tension: 167.848 dyne/cm; (18)Density: 1.978 g/cm³; (19)Flash Point: 411.033 °C; (20)Enthalpy of Vaporization: 213.974 kJ/mol; (21)Boiling Point: 1352.64 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cc(c(=O)c2c1c(cc(c2O)O)C3Cc4c(cc(cc4OC3OC(=O)c5cc(c(c(c5)O)O)O)O)O)O)[C@H]6Cc7c(cc(cc7O[C@@H]6OC(=O)c8cc(c(c(c8)O)O)O)O)O
(2) InChI: InChI=1S/C43H32O20/c44-17-7-25(46)23-11-19(42(60-33(23)9-17)62-40(58)15-3-27(48)36(54)28(49)4-15)14-1-21-20(13-32(53)39(57)35(21)38(56)31(52)2-14)22-12-24-26(47)8-18(45)10-34(24)61-43(22)63-41(59)16-5-29(50)37(55)30(51)6-16/h1-10,13,19,22,42-51,53-55,57H,11-12H2,(H,52,56)/t19-,22?,42-,43?/m1/s1
(3) InChIKey: QCAQXZUPENTFSR-NKBZHRPCSA-N

Product Name

8-Gingerol

8-Gingerol Specification

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