| Properties | Image |
|---|
| MNX_ID | MNXM1132222 |
 |
| reference | metacycM:CPD-22799 |
| formula | C28H50O9 |
| global charge | 0 |
| mol weight | 530.699 |
| InChIKey | PZJHPDFVLJZQLD-QINQYRDUSA-N |
| InChI | InChI=1S/C28H50O9/c1-6-7-8-9-10-11-12-13-14-15-22(30)35-26-25(36-23(31)16-19(2)3)21(18-29)34-28(33)27(26)37-24(32)17-20(4)5/h19-21,25-29,33H,6-18H2,1-5H3/t21-,25-,26?,27-,28+/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)OC1[C@@H](OC(=O)CC(C)C)[C@@H](O)O[C@H](CO)[C@H]1OC(=O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H50O9/c1-6-7-8-9-10-11-12-13-14-15-22(30)35-26-25(36-23(31)16-19(2)3)21(18-29)34-28(33)27(26)37-24(32)17-20(4)5/h19-21,25-29,33H,6-18H2,1-5H3/t21-,25-,26?,27-,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:22](=[O:30])[O:35][CH:26]1[C@H:25]([O:36][C:23]([CH2:16][CH:19]([CH3:2])[CH3:3])=[O:31])[C@@H:21]([CH2:18][OH:29])[O:34][C@H:28]([OH:33])[C@@H:27]1[O:37][C:24]([CH2:17][CH:20]([CH3:4])[CH3:5])=[O:32] |
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