| Properties | Image |
|---|
| MNX_ID | MNXM1131859 |
 |
| reference | lipidmapsM:LMST01020121 |
| formula | C36H54O8 |
| global charge | 0 |
| mol weight | 614.82 |
| InChIKey | QSHIBWOKKODRLV-BTFPVTJYSA-N |
| InChI | InChI=1S/C36H54O8/c1-33-18-15-29-30(36(33,42)21-17-28(33)26-12-13-31(39)43-24-26)16-20-35(41)23-27(14-19-34(29,35)25-38)44-32(40)11-9-7-5-3-2-4-6-8-10-22-37/h12-13,24-25,27-30,37,41-42H,2-11,14-23H2,1H3/t27-,28+,29-,30+,33+,34-,35-,36-/m0/s1 |
| SMILES | C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)CCCCCCCCCCCO)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H54O8/c1-33-18-15-29-30(36(33,42)21-17-28(33)26-12-13-31(39)43-24-26)16-20-35(41)23-27(14-19-34(29,35)25-38)44-32(40)11-9-7-5-3-2-4-6-8-10-22-37/h12-13,24-25,27-30,37,41-42H,2-11,14-23H2,1H3/t27-,28+,29-,30+,33+,34-,35-,36-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:33]12[CH2:18][CH2:15][C@H:29]3[C@@H:30]([CH2:16][CH2:20][C@:35]4([OH:41])[CH2:23][C@@H:27]([O:44][C:32]([CH2:11][CH2:9][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:22][OH:37])=[O:40])[CH2:14][CH2:19][C@:34]34[CH:25]=[O:38])[C@@:36]1([OH:42])[CH2:21][CH2:17][C@@H:28]2[C:26]1=[CH:24][O:43][C:31](=[O:39])[CH:13]=[CH:12]1 |
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