Fasciculol D
[(2R,3R,10S,12S,13R,14S)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate
Also Known As: Fasciculol D|KST-1A7940|(2|A,3|A,5xi,12|A,17xi,24r)-3,12,24,25-tetrahydroxylanost-8-en-2-yl 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate|[(2R,3R,10S,12S,13R,14S)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate|3-Hydroxy-N-(2-methoxy-2-oxoethyl)-3-methyl-5-oxo-5-[(3,12,24,25-tetrahydroxylanost-8-en-2-yl)oxy]pentanimidic acid|3-Hydroxy-N-(2-methoxy-2-oxoethyl)-3-methyl-5-oxo-5-{[(5xi,17xi,24R)-3beta,12alpha,24,25-tetrahydroxylanost-8-en-2alpha-yl]oxy}pentanimidic acid
| Molecular Formula | C39H65NO10 |
|---|---|
| Molecular Weight | 707.4609 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 707.4609 |
| Monoisotopic Mass | 707.4609 |
| Heavy Atoms | 50 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 73299-45-3 |
|---|---|
| SMILES | C[C@H](CC[C@H](C(C)(C)O)O)C1CC[C@@]2([C@@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)OC(=O)CC(C)(CC(=O)NCC(=O)OC)O)C)O)C)C |
| InChIKey | UFHYUEPVXXEOIS-KBNKLVGESA-N |
Product Overview
Fasciculol D (CAS 73299-45-3), with molecular formula C39H65NO10 and molecular weight 707.4609 g/mol. IUPAC: [(2R,3R,10S,12S,13R,14S)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate.