AC1MWBC7
14-hydroxy-17-[5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,6,6,18-tetramethyl-5,7-dioxapentacyclo[11.7.0.02,10.04,8.014,18]icos-12-en-11-one
Also Known As: Ecdysterone 2,3:20,22-diacetonide|B0005-175321|(1R,2R,4S,8R,10R,14S,17S,18R)-14-hydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,6,6,18-tetramethyl-5,7-dioxapentacyclo[11.7.0.02,10.04,8.014,18]icos-12-en-11-one
| Molecular Formula | C33H52O7 |
|---|---|
| Molecular Weight | 560.3713 g/mol |
| LogP | 5.4506 |
| Topological Polar Surface Area | 94.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 560.3713 |
| Monoisotopic Mass | 560.3713 |
| Heavy Atoms | 40 |
| Complexity | 1104.5684 |
Chemical Identifiers
| CAS Number | 22798-98-7 |
|---|---|
| SMILES | CC1(OC2CC3C(=O)C=C4C(C3(CC2O1)C)CCC5(C4(CCC5C6(C(OC(O6)(C)C)CCC(C)(C)O)C)O)C)C |
Product Overview
AC1MWBC7 (CAS 22798-98-7), with molecular formula C33H52O7 and molecular weight 560.3713 g/mol. IUPAC: 14-hydroxy-17-[5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,6,6,18-tetramethyl-5,7-dioxapentacyclo[11.7.0.02,10.04,8.014,18]icos-12-en-11-one.
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