7G1
Summary
| Name: | (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol |
| Formula: | C18 H24 O2 |
| Formal charge: | 0 |
| Formula weight: | 272.382 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol |
| OpenEye OEToolkits | 2.0.6 | (1~{S},3~{a}~{S},5~{S},7~{a}~{S})-7~{a}-methylspiro[2,3,3~{a},4,6,7-hexahydro-1~{H}-indene-5,1'-2,3-dihydroindene]-1,5'-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1C4(CC2C(C1)(C)C(O)CC2)c3ccc(O)cc3CC4 |
| InChI | InChI | 1.03 | InChI=1S/C18H24O2/c1-17-8-9-18(11-13(17)2-5-16(17)20)7-6-12-10-14(19)3-4-15(12)18/h3-4,10,13,16,19-20H,2,5-9,11H2,1H3/t13-,16-,17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | BGBMCMKSOQATFR-MGHWNKPDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CC[C@@]3(CCc4cc(O)ccc34)C[C@@H]1CC[C@@H]2O |
| SMILES | CACTVS | 3.385 | C[C]12CC[C]3(CCc4cc(O)ccc34)C[CH]1CC[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@]12CC[C@@]3(CCc4c3ccc(c4)O)C[C@@H]1CC[C@@H]2O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC12CCC3(CCc4c3ccc(c4)O)CC1CCC2O |
