Ginkgolide A(CAS No. 15291-75-5)

Ginkgolide A C20H24O9 (cas 15291-75-5) Molecular Structure

15291-75-5 Structure

Identification and Related Records

【Name】
Ginkgolide A
【CAS Registry number】
15291-75-5
【Synonyms】
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-tert-butylhexahydro-4,7b-dihydroxy-8-methyl- (8CI)
BN52020
[1R-(1a,3b,3aS*,4b,6aa,7aa,7ba,8a,10aa,11aS*)]-3-(1,1-Dimethylethyl)hexahydro-4,7b-dihydroxy-8-methyl-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
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-4,7b-dihydroxy-8-methyl-, (1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS)-
【Molecular Formula】
C20H24O9 (Products with the same molecular formula)
【Molecular Weight】
408.4
【Inchi】
InChI=1/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17?,18?,19-,20?/m1/s1
【Canonical SMILES】
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
【Isomers smiles】
C[C@@H]1C(=O)O[C@@H]2[C@]1(C34C(=O)O[C@H]5C3(C2)C6([C@@H](C5)C(C)(C)C)
[C@H](C(=O)O[C@H]6O4)O)O
【MOL File】
15291-75-5.mol

Chemical and Physical Properties

【Appearance】
White powder
【Density】
1.56 g/cm3
【Melting Point】
280°C (dec.)
【Boiling Point】
710.1 °C at 760 mmHg
【Vapour】
2.69E-23mmHg at 25°C
【Refractive Index】
1.631
【Flash Point】
710.1 °C at 760 mmHg
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:408.39916 [g/mol]
Molecular Formula:C20H24O9
XLogP3-AA:0.6
H-Bond Donor:2
H-Bond Acceptor:9
Rotatable Bond Count:1
Tautomer Count:6
Exact Mass:408.142032
MonoIsotopic Mass:408.142032
Topological Polar Surface Area:129
Heavy Atom Count:29
Formal Charge:0
Complexity:893
Isotope Atom Count:0
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:6
Effective Rotor Count:2.8
Conformer Sampling RMSD:0.8
CID Conformer Count:3

Safety and Handling

【Safety】

WGK Germany 3
F 10

Use and Manufacturing

【Usage】

 Ginkgolide A (CAS NO.15291-75-5) is family of bioactive terpenes treating cardiovascular and cerebrovascular diseases. Specific platelet activating factor (PAF) antagonists

Supplier Location

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