UK6
Summary
| Name: | sclareol |
| Synonyms: | (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (13R)-Labd-14-ene-8,13-diol |
| Formula: | C20 H36 O2 |
| Formal charge: | 0 |
| Formula weight: | 308.499 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R},4~{a}~{S},8~{a}~{S})-2,5,5,8~{a}-tetramethyl-1-[(3~{R})-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1 |
| InChIKey | InChI | 1.06 | XVULBTBTFGYVRC-HHUCQEJWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)C=C |
| SMILES | CACTVS | 3.385 | CC1(C)CCC[C]2(C)[CH]1CC[C](C)(O)[CH]2CC[C](C)(O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C |
