7H6
Summary
| Name: | (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid |
| Formula: | C15 H24 O3 |
| Formal charge: | 0 |
| Formula weight: | 252.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | (1~{S},4~{S},5~{S},9~{S})-8-methyl-9-oxidanyl-1-propan-2-yl-spiro[4.5]dec-7-ene-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C12(C(CCC1C(C)C)C(O)=O)CC(O)C(C)=CC2 |
| InChI | InChI | 1.03 | InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | ZIOMQRRFPWLXDN-XFMPKHEZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H]1CC[C@H](C(O)=O)[C@]12CC=C(C)[C@@H](O)C2 |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1CC[CH](C(O)=O)[C]12CC=C(C)[CH](O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC[C@]2(C[C@@H]1O)[C@@H](CC[C@@H]2C(=O)O)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CCC2(CC1O)C(CCC2C(=O)O)C(C)C |
