| 2D Structure | |
| CID | 76311433 |
| Target | / |
| IUPAC Name | (5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| InChI | InChI=1S/C30H48O4/c1-17(24-23(32)25(33)27(4,5)34-24)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21,23-25,32-33H,10-16H2,1-8H3/t17-,18+,19+,21+,23+,24-,25+,28-,29+,30-/m1/s1 |
| InChI Key | QVEUBDDZMCFHNJ-BZXSMNKYSA-N |
| Canonical SMILES | CC(C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C)C5C(C(C(O5)(C)C)O)O |
| Isomeric SMILES | C[C@H]([C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)[C@@H]5[C@@H]([C@@H](C(O5)(C)C)O)O |
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.7 |
| synonyms | ['ODORATONE', '16962-90-6', '(5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one', 'CHEMBL3138656', 'DTXSID601019941', 'HY-N3156', 'AKOS032962339', 'DA-56390', 'FS-10472', 'CS-0023385', '(13|A,14|A,17|A,20R)-22,25-Epoxy-23,24-dihydroxy-5|A-lanost-7-en-3-one', '13,14,17H-Lanost-7-en-3-one, 22,25-epoxy-23,24-dihydroxy- ; Dehydroodoratol'] |
From Pubchem