IV5
Summary
| Name: | (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol |
| Formula: | C32 H50 O4 |
| Formal charge: | 0 |
| Formula weight: | 498.737 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C32H50O4/c1-24-27(22-29(33)23-30(24)34)18-17-26(15-9-7-11-20-32(4,5)36)28-16-12-14-25(21-28)13-8-6-10-19-31(2,3)35/h12,14,16-18,21,29-30,33-36H,1,6-11,13,15,19-20,22-23H2,2-5H3/b26-17+,27-18-/t29-,30+/m1/s1 |
| InChIKey | InChI | 1.06 | SQUUCPJJDWEFCT-WWCFBHCMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)CCCCCc1cccc(c1)C(/CCCCCC(C)(C)O)=C/C=C2/C[C@@H](O)C[C@H](O)C2=C |
| SMILES | CACTVS | 3.385 | CC(C)(O)CCCCCc1cccc(c1)C(CCCCCC(C)(C)O)=CC=C2C[CH](O)C[CH](O)C2=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(CCCCCc1cccc(c1)/C(=C/C=C\2/C[C@H](C[C@@H](C2=C)O)O)/CCCCCC(C)(C)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(CCCCCc1cccc(c1)C(=CC=C2CC(CC(C2=C)O)O)CCCCCC(C)(C)O)O |
