chempirical

Ginkgolide C

C20H24O11CAS 15291-76-6440.40 g/mol

Open in Covalent MOL file
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AcetalAlcoholEsterEtherLactone

Properties

Molecular formula
C20H24O11
Molar mass
440.40 g/mol
Exact mass
440.1319 Da
logP
-2.40Crippen estimate
Polar surface area
169.1 Ų
H-bond donors / acceptors
4 / 11
Rotatable bonds
0
Stereocentres
S, S, R, 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
15291-76-6
SMILES
C[C@@H]1C(=O)O[C@H]2[C@H](O)C34[C@@H]5OC(=O)C3(O[C@@H]3OC(=O)[C@H](O)C34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O
InChIKey
AMOGMTLMADGEOQ-BKGDODAPSA-N
InChI
InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,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

7 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,11-tetrahydroxy-8-methyl-, (1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11R,11aR)-
  • 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-2,4,7b,11-tetrahydroxy-8-methyl-
  • Ginkgolide A, 1,7-dihydroxy-, (1β,7β)-
  • 5H-Dicyclopenta[b,c]furan-3,5a(6H)-diacetic acid, 6-tert-butyl-3a-carboxyhexahydro-α5a,1,2,3,5,7,8-heptahydroxy-α3-methyl-, tri-γ-lactone
  • (1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11R,11aR)-3-(1,1-Dimethylethyl)hexahydro-2,4,7b,11-tetrahydroxy-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,11-tetrahydroxy-8-methyl-, [1R-(1α,2α,3β,3aS*,4β,6aα,7aα,7bα,8α,10aα,11α,11aR*)]-
  • BN 52022

Work with Ginkgolide C

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 B15291-77-771 % similar Ginkgolide J107438-79-966 % similar Ginkgolide A15291-75-551 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook