Cmh-AM
1-adamantylmethanol;(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;trihydrate
| Molecular Formula | C53H94O39 |
|---|---|
| Molecular Weight | 1355.3 g/mol |
| Topological Polar Surface Area | 577.0 A2 |
| Hydrogen Bond Donors | 25 |
| Hydrogen Bond Acceptors | 39 |
| Rotatable Bonds | 8 |
| Exact Mass | 1354.5372 |
| Heavy Atoms | 92 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 101412-93-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CO.C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O.O.O.O |
| InChIKey | NXYKOJRRZLCQBW-DCNYAWAYSA-N |
📖 Product Overview
Cmh-AM (CAS: 101412-93-5) is a chemical compound with molecular formula C53H94O39 and molecular weight 1355.3 g/mol. Its IUPAC systematic name is 1-adamantylmethanol;(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;trihydrate.
NXYKOJRRZLCQBW-DCNYAWAYSA-N.
SMILES: C1C2CC3CC1CC(C2)(C3)CO.C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O.O.O.O.
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