AC1L4J9Q
[5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] decanoate
Also Known As: Decanoic acid, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester, (1aR-(1aalpha,2beta,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-|5,5a-Dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl decanoate
| Molecular Formula | C30H46O6 |
|---|---|
| Molecular Weight | 502.32944 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 502.32944 |
| Monoisotopic Mass | 502.32944 |
| Heavy Atoms | 36 |
| Complexity | 934.0 |
Chemical Identifiers
| CAS Number | 82425-34-1 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C |
| InChIKey | DOQJULIMDMKYCO-UHFFFAOYSA-N |
Product Overview
AC1L4J9Q (CAS 82425-34-1), with molecular formula C30H46O6 and molecular weight 502.32944 g/mol. IUPAC: [5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] decanoate.
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