Bilobalide

C15H18O8CAS 33570-04-6326.30 g/mol

Open in Covalent MOL file
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AcetalAlcoholEsterLactone

Properties

Molecular formula
C15H18O8
Molar mass
326.30 g/mol
Exact mass
326.1002 Da
logP
-0.74Crippen estimate
Polar surface area
119.4 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
0
Stereocentres
R, S, S, R, R, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
33570-04-6
SMILES
CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@]213
InChIKey
MOLPUWBMSBJXER-YDGSQGCISA-N
InChI
InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • 4H,5aH,9H-Furo[2,3-b]furo[3′,2′:2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3aS,5aR,8R,8aS,9R,10aS)-
  • 4H,5aH,9H-Furo[2,3-b]furo[3′,2′:2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, [5aR-(3aS*,5aα,8β,8aS*,9α,10aα)]-
  • 4H,5aH,9H-Furo[2,3-b]furo[3′,2′:2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9α-tert-butyl-10,10aβ-dihydro-8α,9-dihydroxy-, (-)-
  • (3aS,5aR,8R,8aS,9R,10aS)-9-(1,1-Dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-4H,5aH,9H-furo[2,3-b]furo[3′,2′:2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione
  • Bilobalid
  • (-)-Bilobalide

Work with Bilobalide

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 B15291-77-732 % similar Ginkgolide A15291-75-532 % similar Ginkgolide J107438-79-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook