chempirical

Ginkgolide J

C20H24O10CAS 107438-79-9424.40 g/mol

Open in Covalent MOL file
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AcetalAlcoholEsterEtherLactone

Properties

Molecular formula
C20H24O10
Molar mass
424.40 g/mol
Exact mass
424.1369 Da
logP
-1.37Crippen estimate
Polar surface area
148.8 Ų
H-bond donors / acceptors
3 / 10
Rotatable bonds
0
Stereocentres
S, S, S, S, R, R, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
107438-79-9
SMILES
C[C@@H]1C(=O)O[C@H]2C[C@]34[C@@H]5OC(=O)C3(O[C@@H]3OC(=O)[C@H](O)C34[C@H](C(C)(C)C)[C@H]5O)[C@]21O
InChIKey
LMEHVEUFNRJAAV-UJUBRRQFSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 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 A, 7-hydroxy-, (7β)-
  • (1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS)-3-(1,1-Dimethylethyl)hexahydro-2,4,7b-trihydroxy-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-2,4,7b-trihydroxy-8-methyl-, [1S-(1α,2α,3β,3aR*,4β,6aα,7aα,7bα,8α,10aα,11aR*)]-
  • BN 52024

Work with Ginkgolide J

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ginkgolide A15291-75-572 % similar Ginkgolide C15291-76-666 % similar Bilobalide33570-04-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ginkgolide B15291-77-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook