chempirical

(+)-Yangambin

C24H30O8CAS 13060-14-5446.50 g/mol

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Ether

Properties

Molecular formula
C24H30O8
Molar mass
446.50 g/mol
Exact mass
446.1941 Da
Melting point
105–106 °C
logP
3.81Crippen estimate
Polar surface area
73.8 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
8
Stereocentres
S, R, R, Sin SMILES atom order

Identifiers

CAS number
13060-14-5
SMILES
COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIKey
HRLFUIXSXUASEX-RZTYQLBFSA-N
InChI
InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • 1H,3H-Furo[3,4-c]furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1S,3aR,4S,6aR)-
  • Yangambin
  • 1H,3H-Furo[3,4-c]furan, 3aα,4,6,6aα-tetrahydro-1α,4α-bis(3,4,5-trimethoxyphenyl)-
  • 1H,3H-Furo[3,4-c]furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, [1S-(1α,3aα,4α,6aα)]-
  • Lirioresinol B, dimethyl-
  • (1S,3aR,4S,6aR)-Tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan
  • (+)-O,O-Dimethyllirioresinol B
  • Lirioresinol B, O,O-dimethyl-
  • Lirioresinol B dimethyl ether
  • O,O-Dimethyllirioresinol B
  • (+)-Yangabin
  • Yangabin

Work with (+)-Yangambin

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

(+)-Eudesmin29106-36-367 % similar (-)-Eudesmin526-06-767 % similar (±)-Fargesin31008-19-256 % similar Eleutheroside E39432-56-953 % similar (-)-Syringaresinol diglucoside66791-77-353 % similar Acanthoside B7374-79-048 % similar Asarinin133-05-146 % similar Sesamin607-80-746 % similar

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

Elsewhere

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