(3S,3'as,6's,6As,6Bs,7'ar,9R,11As,11Br)-3-Hydroxy-3',6',10,11B-Tetramethylspiro[1,2,3,4,6,6A,6B,7,8,11A-Decahydrobenzo[A]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[3,2-B]Pyridine]-11-One
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1717145 | |
| PubChem: | 6093180 | |
| IUPAC: | (3S,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one | |
| Standard InChI: | InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16?,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1 | |
| Standard InChI Key: | CLEXYFLHGFJONT-WFJAZDIUSA-N | |
| SMILES: | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H](C4C)NC[C@H](C2)C)C1)C | |
Molecular propeties
| ||
| AlogP: | 4.18 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 6 | |
| Molecular Weight: | 425.29 | |
| Topological polar surface area: | 58.6 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.815 | |
| Number of carbons: | 27 | |