chempirical

Picfeltarraenin X

C36H54O11CAS 1391826-61-1662.82 g/mol

Open in Covalent MOL file
OOOHOOOOHHOOHOHOH
AcetalAlcoholAlkeneEtherKetone

Properties

Molecular formula
C36H54O11
Molar mass
662.82 g/mol
Exact mass
662.3666 Da
logP
1.80Crippen estimate
Polar surface area
183.2 Ų
H-bond donors / acceptors
6 / 11
Rotatable bonds
5
Stereocentres
S, R, R, S, R, R, S, R, S, S, R, R, S, S, 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
1391826-61-1
SMILES
CC(C)C1=CC(=O)[C@](O1)(C)[C@H]2[C@@H](C[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4C[C@@H]([C@H](C5(C)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)C)O
InChIKey
WZLJFFOIPJDGBU-MXKLYMAESA-N
InChI
InChI=1S/C36H54O11/c1-16(2)20-12-24(39)36(8,47-20)29-19(38)13-33(5)23-10-9-17-18(35(23,7)25(40)14-34(29,33)6)11-21(30(44)32(17,3)4)45-31-28(43)27(42)26(41)22(15-37)46-31/h9,12,16,18-19,21-23,26-31,37-38,41-44H,10-11,13-15H2,1-8H3/t18-,19-,21+,22-,23+,26-,27+,28-,29+,30-,31-,33+,34-,35+,36-/m1/s1

Weigh it out

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

Work with Picfeltarraenin X

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

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

Elsewhere

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