5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate
(5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl) hexadecanoate
Also Known As: 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate|(5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl) hexadecanoate|12a-Hydroxy-2,2,7,7,9,11-hexamethyl-13-oxo-6,7,7a,8,9,12,12a,12b-octahydro-2H,4H,6aH-6,9a-methanocyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d][1,3]dioxin-12-yl hexadecanoate|Hexadecanoic acid, 6,6a,7a,8,9,12,12a,12b-octahydro-12a-hydroxy-2,2,7,7,9,11-hexamethyl-13-oxo-7H-6,9a-methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-12-yl ester, [6R-(6.alpha.,6a.alpha.,7a.alpha.,9.alpha.,9a.alpha.,12.beta.,12a.beta.,12b.alpha.)]-
| Molecular Formula | C39H62O6 |
|---|---|
| Molecular Weight | 626.45465 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 626.45465 |
| Monoisotopic Mass | 626.45465 |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 77573-06-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1C(=CC23C1(C4C(=CC(C2=O)C5C(C5(C)C)CC3C)COC(O4)(C)C)O)C |
| InChIKey | FGFHNMBIMRVWIW-UHFFFAOYSA-N |
Product Overview
5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate (CAS 77573-06-9), with molecular formula C39H62O6 and molecular weight 626.45465 g/mol. IUPAC: (5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl) hexadecanoate.
5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate is a custom synthesis product. We offer services from milligram to kilogram scale.
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