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Ginkgolide J

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Name

Ginkgolide J

EINECS N/A
CAS No. 107438-79-9 Density 1.645 g/cm3
PSA 148.82000 LogP -1.36950
Solubility N/A Melting Point N/A
Formula C20H24O10 Boiling Point 760.395 °C at 760 mmHg
Molecular Weight 424.40 Flash Point 273.607 °C
Transport Information N/A Appearance Yellow-brown Fine Powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 107438-79-9 (Ginkgolide J) Hazard Symbols N/A
Synonyms

Ginkgolide A, 7-hydroxy-, (7β)-;9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione,3-(1,1-dimethylethyl)hexahydro-2,4,7b-trihydroxy-8-methyl-, [1S-(1a,2a,3b,3aR*,4b,6aa,7aa,7ba,8a,10aa,11aR*)]-;BN 52024;9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione,3-(1,1-dimethylethyl)hexahydro-2,4,7b-trihydroxy-8-methyl-, (1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS)-;

 

Ginkgolide J Specification

The Ginkgolide J, with the CAS registry number 107438-79-9, is also known as 7beta-Hydroxyginkgolide A. It belongs to the product categories of GChemical Class; Alphabetic; Analytical Standards; Herbal Drugs; Natural Compounds. This chemical's molecular formula is C20H24O10 and molecular weight is 424.40. What's more, its systematic name is Ginkgolide A, 7-hydroxy-, (7beta)-. This chemical is a naturally occurring ginkgolide from Ginkgo. 

Physical properties of Ginkgolide J are: (1)ACD/LogP: -0.676; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.68; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 10.22; (8)ACD/KOC (pH 7.4): 10.22; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 148.82 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 94.203 cm3; (15)Molar Volume: 258.046 cm3; (16)Polarizability: 37.345×10-24cm3; (17)Surface Tension: 79 dyne/cm; (18)Density: 1.645 g/cm3; (19)Flash Point: 273.607 °C; (20)Enthalpy of Vaporization: 126.336 kJ/mol; (21)Boiling Point: 760.395 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of Ginkgolide J: it can be used to produce 6,10-Di-O-acetylisoginkgolid J at the temperature of 150 °C. It will need reagent CH3COOK with the reaction time of 20 min. The yield is about 21%.

Ginkgolide J can be used to produce 6,10-Di-O-acetylisoginkgolid J at the temperature of 150 °C

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1(C34C(=O)OC5[C@]3(C2)C6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O
(2)Std. InChI: InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11?,15+,17?,18?,19-,20?/m1/s1
(3)Std. InChIKey: LMEHVEUFNRJAAV-VMAFNFHJSA-N  

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