Showing Metabocard for (1S,3bR,4R,5aR,9aR,9bR,11aS)-1-(1-hydroxy-4-oxobutan-2-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate (BASm0013073)
| Common Name | (1s,3br,4r,5ar,9ar,9br,11as)-1-(1-hydroxy-4-oxobutan-2-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | Not Available |
| Average Mass | Not Available |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3C(CO)CC=O)[C@@]21C |
| InChI Identifier | InChI=1S/C28H40O5/c1-17(31)33-24-15-22-25(2,3)23(32)10-13-27(22,5)21-9-12-26(4)19(18(16-30)11-14-29)7-8-20(26)28(21,24)6/h8,10,13-14,18-19,21-22,24,30H,7,9,11-12,15-16H2,1-6H3/t18?,19-,21+,22-,24+,26-,27+,28-/m0/s1 |
| InChI Key | GPXAIHWMFWUTGF-VYXIXSOMSA-N |
| CHEBI ID | CHEBI:231473 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |