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Ginkgolide B

CAT: 0024-sc-201037BSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-201037BSize:5 mg
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CAS Number
15291-77-7

Chemical Information

Ginkgolide B

Ginkgolide B has been reported in Ginkgo and Ginkgo biloba with data available.

CAS Number15291-77-7
PubChem CID11973122
IUPAC Name(1R,3R,6R,7S,8S,10R,11R,12S,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Molecular FormulaC20H24O10
Molecular Weight424.4
XLogP-0.4
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity925
SMILES
C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@@H]2O)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O
InChI
InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9-,10+,11+,15+,17+,18+,19-,20-/m1/s1
InChIKey
SQOJOAFXDQDRGF-ZMVGXLHTSA-N
Chemical Structure
2D Structure
2D structure of Ginkgolide B
CAS: 15291-77-7
CID: 11973122
Formula: C20H24O10
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Exact Mass424.13694696
Monoisotopic Mass424.13694696
Topological Polar Surface Area149 Ų
Heavy Atom Count30
Formal Charge0
Complexity925
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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