| PDB CCD ID: | A1LW8 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C34 H56 O8 |
| InChI: | InChI=1S/C34H56O8/c1-18(17-40-31-30(39)29(38)28(37)26(16-35)42-31)6-7-24-19(2)27-25(41-24)14-23-21-9-11-32(3)15-20(36)8-13-34(32,5)22(21)10-12-33(23,27)4/h18,20-23,25-31,35-39H,6-17H2,1-5H3/t18-,20-,21-,22-,23+,25-,26+,27-,28+,29-,30+,31+,32+,33-,34+/m0/s1 |
| InChIKey: | ULNDCEKFZLEEGC-TWIDTKOTSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@@H]([C@H]3C2)CC[C@]5([C@@]4(CC[C@@H](C5)O)C)C)C)CC[C@H](C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O | | OpenEye OEToolkits 2.0.7 | CC1=C(OC2C1C3(CCC4C(C3C2)CCC5(C4(CCC(C5)O)C)C)C)CCC(C)COC6C(C(C(C(O6)CO)O)O)O | | CACTVS 3.385 | C[C@@H](CCC1=C(C)[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@]5(C)C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O1)CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O | | CACTVS 3.385 | C[CH](CCC1=C(C)[CH]2[CH](C[CH]3[CH]4CC[C]5(C)C[CH](O)CC[C]5(C)[CH]4CC[C]23C)O1)CO[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O |
|
| Name: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{S})-2-methyl-4-[(1~{R},2~{R},4~{S},6~{S},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S},18~{R})-7,9,13,18-tetramethyl-16-oxidanyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-yl]butoxy]oxane-3,4,5-triol |
