17-Hydroxyisolathyrol

C₂₀H₃₀O₅CAS 93551-00-9350.46 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₂₀H₃₀O₅
Molar mass: 350.46 g/mol
Exact mass: 350.2093 Da
logP: 1.21Crippen estimate
Polar surface area: 98.0 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 1
Double bonds: Z, ZE/Z, in SMILES 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

93551-00-9

SMILES

CC1CC2(C(C1O)C(/C(=C\CC3C(C3(C)C)/C=C(\C2=O)/C)/CO)O)O

InChIKey

XKXYJTIBKZGIPR-YDYNUCMUSA-N

InChI

InChI=1S/C20H30O5/c1-10-7-14-13(19(14,3)4)6-5-12(9-21)17(23)15-16(22)11(2)8-20(15,25)18(10)24/h5,7,11,13-17,21-23,25H,6,8-9H2,1-4H3/b10-7-,12-5-

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Work with 17-Hydroxyisolathyrol

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

(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-Dodecahydro-4a,7,8-trihydroxy-1,1,3,6-tetramethyl-9-methylene-4H-cyclopenta[a]cyclopropa[f]cycloundecen-4-one34420-19-466 % similar Phorbol17673-25-533 % similar

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

Same formula

Andrographolide5508-58-7

Elsewhere

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