Acetyl-trans-resveratrol

C₂₀H₁₈O₆CAS 42206-94-0354.36 g/mol

Open in Covalent MOL file

Alkene Ester

Properties

Molecular formula: C₂₀H₁₈O₆
Molar mass: 354.36 g/mol
Exact mass: 354.1103 Da
logP: 3.63Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 5
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction97.4% of notifiers
H318 Causes serious eye damage97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers
H400 Very toxic to aquatic life97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

42206-94-0

SMILES

CC(=O)OC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)OC(=O)C)OC(=O)C

InChIKey

PDAYUJSOJIMKIS-SNAWJCMRSA-N

InChI

InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3/b5-4+

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Names and synonyms

1 names

Triacetylresveratrol

Work with Acetyl-trans-resveratrol

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

Hydroquinone diacetate1205-91-062 % similar 4-(Acetyloxy)benzaldehyde878-00-262 % similar 3-[4-(Acetyloxy)phenyl]-2-propenoic acid15486-19-861 % similar 4-Ethenylphenyl acetate2628-16-260 % similar 4,4'-Diacetoxybiphenyl32604-29-856 % similar 1,3-Dihydroxybenzene diacetate108-58-755 % similar 4-Methylphenyl acetate140-39-653 % similar 2,6-Naphthalenediol diacetate22426-47-753 % similar

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

Same formula

Asarinin133-04-0 Asarinin133-05-1 Sesamin607-80-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook