Details of Caratuberside D
| IUPAC | [(3S,8S,9S,10R,12R,13S,14S,17S)-17-(1-acetyloxyethyl)-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate |
| Canonical Smiles | C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC)O[C@H]4CC[C@@]5([C@H]6C[C@H]([C@@]7([C@H](CC[C@@]7([C@@H]6C(C=C5C4)O)O)C(C)OC(=O)C)C)OC(=O)C8=CC=CC=C8)C)C)C)O)OC)O |
| Inchi | NUTMBPBACYSVHF-SWCHDGLVSA-N |
| PubChem ID | 102521037 |
| Smiles | CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC(O)[C@@H]4[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](C(C)OC(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1 |
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| Class | Pregnane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |