27J
Summary
| Name: | alpha-zearalanol |
| Synonyms: | (3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one |
| Formula: | C18 H26 O5 |
| Formal charge: | 0 |
| Formula weight: | 322.396 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one |
| OpenEye OEToolkits | 1.7.6 | (7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1OC(CCCC(O)CCCCCc2cc(O)cc(O)c12)C |
| InChI | InChI | 1.03 | InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | DWTTZBARDOXEAM-GXTWGEPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 |
| SMILES | CACTVS | 3.385 | C[CH]1CCC[CH](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCCC(CCCCCc2cc(cc(c2C(=O)O1)O)O)O |
