chempirical

Picfeltarraenin ib

C42H64O14CAS 97230-46-1792.96 g/mol

Open in Covalent MOL file
OOOOOOOHOHOOHOHHOOHOH
AcetalAlcoholAlkeneEtherKetone

Properties

Molecular formula
C42H64O14
Molar mass
792.96 g/mol
Exact mass
792.4296 Da
logP
1.68Crippen estimate
Polar surface area
221.9 Ų
H-bond donors / acceptors
7 / 14
Rotatable bonds
7
Stereocentres
S, R, R, R, S, R, S, S, R, R, R, R, S, R, R, S, R, 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
97230-46-1
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3CC[C@@H]4C(=CC[C@@H]5[C@]4(C(=O)C[C@]6([C@]5(C[C@H]([C@@H]6[C@@]7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)CO)O)O)O)O)O
InChIKey
YRQJYHITIWJZQN-UGBBSPHQSA-N
InChI
InChI=1S/C42H64O14/c1-18(2)23-14-26(45)42(9,56-23)35-22(44)15-39(6)25-12-10-20-21(41(25,8)27(46)16-40(35,39)7)11-13-28(38(20,4)5)54-37-34(32(50)30(48)24(17-43)53-37)55-36-33(51)31(49)29(47)19(3)52-36/h10,14,18-19,21-22,24-25,28-37,43-44,47-51H,11-13,15-17H2,1-9H3/t19-,21+,22+,24+,25-,28+,29-,30+,31+,32-,33+,34+,35-,36-,37-,39-,40+,41-,42-/m0/s1

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

Work with Picfeltarraenin ib

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

Picfeltarraenin X1391826-61-173 % similar Mogroside III-E88901-37-544 % similar Siamenoside I126105-12-242 % similar Mogroside V88901-36-442 % similar Mogroside iv88915-64-442 % similar Mogroside iv89590-95-442 % similar Neomogroside89590-98-742 % similar Raddeanin A89412-79-342 % similar

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

Same formula

Tenacissimoside A191729-43-8

Elsewhere

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