FG 202
(3S,5S,10S,13R,14S,17R)-3-[(3aR,6R)-4,4'-dimethylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-6-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: 4-Methylcyclohexanonhelveticosid|AC1L1ZQE|RefChem:1085366|FG 202|4-Methylcyclohexanonhelveticosid [German]|5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(4-methylcyclohexylidene)-beta-D-ribo-D-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-|(3S,5S,10S,13R,14S,17R)-3-[(3aR,6R)-4,4'-dimethylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-6-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde|3b-[[3-o,4-o-(4-methylcyclohexylidene)-2,6-dideoxy-beta-d-ribo-hexopyranosyl]oxy]-5,14-dihydroxy-19-oxo-5b-card-20(22)-enolide
| Molecular Formula | C36H52O9 |
|---|---|
| Molecular Weight | 628.36115 g/mol |
| LogP | 4.75 |
| Topological Polar Surface Area | 120.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 628.36115 |
| Heavy Atoms | 45 |
| Complexity | 1242.7 |
Chemical Identifiers
| CAS Number | 40279-46-7 |
|---|---|
| SMILES | CC1CCC2(CC1)O[C@@H]3C(O[C@H](CC3O2)O[C@H]4CC[C@@]5(C6CC[C@@]7([C@H](CC[C@@]7(C6CC[C@@]5(C4)O)O)C8=CC(=O)OC8)C)C=O)C |
Product Overview
FG 202 (CAS 40279-46-7), with molecular formula C36H52O9 and molecular weight 628.36115 g/mol. IUPAC: (3S,5S,10S,13R,14S,17R)-3-[(3aR,6R)-4,4'-dimethylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-6-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
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