| Properties | Image |
|---|
| MNX_ID | MNXM1131790 |
 |
| reference | lipidmapsM:LMST01010403 |
| formula | C28H42O7 |
| global charge | 0 |
| mol weight | 490.637 |
| InChIKey | GIBDEJWEHLGSCL-XDPVSEIFSA-N |
| InChI | InChI=1S/C28H42O7/c1-15-25(29)20(30-4)12-23(33-15)34-17-7-9-26(2)16(11-17)5-6-19-18(26)8-10-27(3)24-21-14-32-28(19,27)35-22(24)13-31-21/h5,15,17-25,29H,6-14H2,1-4H3/t15-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26+,27-,28-/m1/s1 |
| SMILES | CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]5[C@H]6CO[C@@]43O[C@@H]5CO6)C2)O[C@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H42O7/c1-15-25(29)20(30-4)12-23(33-15)34-17-7-9-26(2)16(11-17)5-6-19-18(26)8-10-27(3)24-21-14-32-28(19,27)35-22(24)13-31-21/h5,15,17-25,29H,6-14H2,1-4H3/t15-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26+,27-,28?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]1[C@H:25]([OH:29])[C@H:20]([O:30][CH3:4])[CH2:12][C@H:23]([O:34][C@H:17]2[CH2:7][CH2:9][C@@:26]3([CH3:2])[C:16](=[CH:5][CH2:6][C@@H:19]4[C@@H:18]3[CH2:8][CH2:10][C@:27]3([CH3:3])[C@H:24]5[C@H:21]6[CH2:14][O:32][C@@:28]43[O:35][C@@H:22]5[CH2:13][O:31]6)[CH2:11]2)[O:33]1 |
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