CAS No.80651-76-9,Sanggenon C Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80651-76-9
Name:	Sanggenon C

Formula:	C₄₀H₃₆O₁₂
Molecular Weight:	708.719
Synonyms:	(5αR,10αS)-2-[6β-(2,4-Dihydroxybenzoyl)-5α-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexene-1β-yl]-5α,10α-dihydro-1,3,8,10α-tetrahydroxy-5α-(3-methyl-2-butenyl)-11H-benzofuro[3,2-b][1]benzopyran-11-one;2-[(1S)-6β-(2,4-Dihydroxybenzoyl)-5α-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexene-1β-yl]-5a,10a-dihydro-1,3,8,10aβ-tetrahydroxy-5aβ-(3-methyl-2-butenyl)-11H-benzofuro[3,2-b][1]benzopyran-11-one;
Density:	1.512 g/cm³
Boiling Point:	995.5 °C at 760 mmHg
Flash Point:	311.5 °C
PSA:	214.44000
LogP:	6.25020

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Specification

The Sanggenon C, with the CAS registry number 80651-76-9, is also known as (5αR,10αS)-2-[6β-(2,4-Dihydroxybenzoyl)-5α-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexene-1β-yl]-5α,10α-dihydro-1,3,8,10α-tetrahydroxy-5α-(3-methyl-2-butenyl)-11H-benzofuro[3,2-b][1]benzopyran-11-one. This chemical's molecular formula is C₄₀H₃₆O₁₂ and molecular weight is 708.71. What's more, its IUPAC name is 2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10α-tetrahydroxy-5α-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one.

Physical properties of Sanggenon C are: (1)ACD/LogP: 8.12; (2)# of Rule of 5 Violations: 4; (3)#H bond acceptors: 12; (4)#H bond donors: 8; (5)#Freely Rotating Bonds: 14; (6)Polar Surface Area: 126.44 Å²; (7)Index of Refraction: 1.726; (8)Molar Refractivity: 186.36 cm³; (9)Molar Volume: 468.5 cm³; (10)Polarizability: 73.87×10^-24cm³; (11)Surface Tension: 79.9 dyne/cm; (12)Density: 1.512 g/cm³; (13)Flash Point: 311.5 °C; (14)Enthalpy of Vaporization: 152.1 kJ/mol; (15)Boiling Point: 995.5 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(O)cc1O)[C@@H]7[C@@H](c2ccc(O)cc2O)CC(=C/[C@@H]7c4c(O)c5C(=O)C6(Oc3c(ccc(O)c3)C6(Oc5cc4O)C\C=C(/C)C)O)\C
(2)Std. InChI: InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39?,40?/m1/s1
(3)Std. InChIKey: XETHJOZXBVWLLM-QAHMVTMMSA-N