Aloe barbadensis extract

C₁₆H₁₃NO₃CAS 85507-69-3267.28 g/mol

Open in Covalent MOL file

Alkene Ketone Nitro

Properties

Molecular formula: C₁₆H₁₃NO₃
Molar mass: 267.28 g/mol
Exact mass: 267.0895 Da
logP: 3.80Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4
Double bonds: EE/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

85507-69-3

SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChIKey

SGCDUQWVNMXCOR-JXMROGBWSA-N

InChI

InChI=1S/C16H13NO3/c1-12-5-8-14(9-6-12)16(18)10-7-13-3-2-4-15(11-13)17(19)20/h2-11H,1H3/b10-7+

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Names and synonyms

1 names

Aloe vera, ext.

Work with Aloe barbadensis extract

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

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

Same formula

(4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid158722-22-6 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one167869-21-8 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid6640-09-1

Elsewhere

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