Daphnetoxin,12-hydroxy
6,7,17-trihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
Also Known As: 12-Hydroxydaphnetoxin|DAPHNETOXIN,12-HYDROXY|Daphnetoxin, 12-hydroxy-|6H-2,8b-Epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-6-one, 3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a,10-trihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-phenyl-|5,5a,10-Trihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-phenyl-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-2H,6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-6-one
| Molecular Formula | C27H30O9 |
|---|---|
| Molecular Weight | 498.189 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 138.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.189 |
| Heavy Atoms | 36 |
| Complexity | 1230.9 |
Chemical Identifiers
| CAS Number | 35302-50-2 |
|---|---|
| SMILES | CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)O |
Product Overview
Daphnetoxin,12-hydroxy (CAS 35302-50-2), with molecular formula C27H30O9 and molecular weight 498.189 g/mol. IUPAC: 6,7,17-trihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one.
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