| PDB CCD ID: | K9I |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C26 H40 O7 |
| InChI: | InChI=1S/C26H40O7/c1-6-17(15-27)10-16(2)22-13-20(32-5)14-23(29)26(3,4)19-9-7-8-18(11-19)12-21(28)24(30)25(31)33-22/h7-11,17,20-24,27-30H,6,12-15H2,1-5H3/b16-10-/t17-,20-,21-,22+,23+,24+/m1/s1 |
| InChIKey: | QQBSDIIBIDGOMZ-GJULWDICSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCC(CO)C=C(C)C1CC(CC(C(c2cccc(c2)CC(C(C(=O)O1)O)O)(C)C)O)OC | | OpenEye OEToolkits 2.0.7 | CC[C@@H](CO)/C=C(/C)\[C@@H]1C[C@H](C[C@@H](C(c2cccc(c2)C[C@H]([C@@H](C(=O)O1)O)O)(C)C)O)OC | | CACTVS 3.385 | CC[C@@H](CO)\C=C(\C)[C@@H]1C[C@H](C[C@H](O)C(C)(C)c2cccc(C[C@@H](O)[C@H](O)C(=O)O1)c2)OC | | CACTVS 3.385 | CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)c2cccc(C[CH](O)[CH](O)C(=O)O1)c2)OC |
|
| Name: | (3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one |
