4-Deoxyphorbol
(1R,2R,6S,10S,14R,15R)-1,13,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
Also Known As: 4-Deoxyphorbol|5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-7b,9,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-|(1bS,4aS,7aR,7bR,8R,9R)-7b,9,9a-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one|7b,9,9a-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-E]azulen-5-one
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19366 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.19366 |
| Monoisotopic Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 79083-67-3 |
|---|---|
| SMILES | C[C@@H]1[C@H](C2(C(C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@H]4CC(=C3)CO)C)O)O)O |
| InChIKey | RTJAYUGZUOLFMY-IKGOZQHVSA-N |
Product Overview
4-Deoxyphorbol (CAS 79083-67-3), with molecular formula C20H28O5 and molecular weight 348.19366 g/mol. IUPAC: (1R,2R,6S,10S,14R,15R)-1,13,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one.
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