2,3,14,20,22,25,26-Heptahydroxycholest-7-en-6-one
(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6,7-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: 20,26-Dihydroxyecdysone|KST-1A2821|KST-1A2822|2,3,14,20,22,25,26-heptahydroxycholest-7-en-6-one|(2|A,3|A,5|A,14xi,22r)-2,3,14,20,22,25,26-heptahydroxycholest-7-en-6-one|(14xi,22R)-2beta,3beta,14,20,22,25,26-Heptahydroxy-5beta-cholest-7-en-6-one|(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6,7-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
| Molecular Formula | C27H44O8 |
|---|---|
| Molecular Weight | 496.30362 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.30362 |
| Monoisotopic Mass | 496.30362 |
| Heavy Atoms | 35 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 19458-46-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(CO)O)O)O)O |
| InChIKey | RRCGNPRHZQPOOT-UXSQLJCPSA-N |
Product Overview
2,3,14,20,22,25,26-Heptahydroxycholest-7-en-6-one (CAS 19458-46-9), with molecular formula C27H44O8 and molecular weight 496.30362 g/mol. IUPAC: (2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6,7-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one.
2,3,14,20,22,25,26-Heptahydroxycholest-7-en-6-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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