Dihydroartemisinic acid

C₁₅H₂₄O₂CAS 85031-59-0236.35 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₅H₂₄O₂
Molar mass: 236.35 g/mol
Exact mass: 236.1776 Da
logP: 3.73Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: R, R, S, S, Rin SMILES atom order

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

85031-59-0

SMILES

C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)[C@@H](C)C(=O)O

InChIKey

JYGAZEJXUVDYHI-DGTMBMJNSA-N

InChI

InChI=1S/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10-14H,4-7H2,1-3H3,(H,16,17)/t10-,11-,12+,13+,14+/m1/s1

Weigh it out

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

Work with Dihydroartemisinic acid

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

Artemisinic acid80286-58-454 % similar 2-Methylglutaric acid18069-17-533 % similar N-Acetyl-L-isoleucine3077-46-131 % similar Triplal68039-49-631 % similar N-Methyl-L-glutamic acid35989-16-331 % similar 3a,4,5,7a-Tetrahydro-6-methyl-1,3-isobenzofurandione19438-64-330 % similar

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

Same formula

Curdione13657-68-6 (-)-Curcumol4871-97-0 2,6-Di-tert-butyl-4-methoxyphenol489-01-0 5-(1,1-Dimethylheptyl)resorcinol56469-10-4 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol88-26-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook