Chemical Properties of heraclenin (CAS 2880-49-1)

heraclenin

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InChI
InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m0/s1
InChI Key
CTJZWFCPUDPLME-NSHDSACASA-N
Formula
C16H14O5
SMILES
CC1(C)OC1COc1c2occc2cc2ccc(=O)oc12
Molecular Weight1
286.28
CAS
2880-49-1
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Physical Properties

Property Value Unit Source
log10WS -12.97 Crippen Calculated Property
logPoct/wat 3.095 Crippen Calculated Property
McVol 196.410 ml/mol McGowan Calculated Property
Inp [2456.00; 2462.20]   Show Hide
Inp 2462.20 NIST
Inp 2456.00 NIST
Inp 2462.20 NIST
Inp 2456.00 NIST

Similar Compounds

(R)-9-((3,3-Dimethyl-2-oxiranyl)methoxy)-4-methoxyfuro(3,2-g)chromen-7-one. heraclenol. (Z)-3-Hydroxy-3-methyl-1-((7-oxo-7H-furo[3,2-g]chromen-9-yl)oxy)butan-2-yl 2-methylbut-2-enoate. (R)-9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one. Oxypeucedanin. (S,Z)-3-Hydroxy-1-((9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)-3-methylbutan-2-yl 2-methylbut-2-enoate. (R,Z)-3-Hydroxy-3-methyl-1-((7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)butan-2-yl 2-methylbut-2-enoate. geranial oxypeucedaninyl acetal (diastereomer a). neral oxypeucedaninyl acetal (diastereomer a). neral oxypeucedaninyl acetal (diastereomer b). geranial oxypeucedaninyl acetal (diastereomer b). oxypeucedanin hydrate. 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one. oxypeucedanin methanolate. Scopoletin «beta»-D-glucopyranoside, TFA.

Find more compounds similar to heraclenin.

Sources

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