| Properties | Image |
MNX_ID | MNXM162613 |
 |
reference | chebi:90453 |
formula | C25H46O10 |
global charge | 0 |
mol weight | 506.633 |
InChIKey | UWAHGIGEXYIXRH-IPMCVVNUSA-N |
InChI | InChI=1S/C25H46O10/c1-3-5-7-9-11-13-20(27)32-16-18(34-21(28)14-12-10-8-6-4-2)17-33-25-24(31)23(30)22(29)19(15-26)35-25/h18-19,22-26,29-31H,3-17H2,1-2H3/t18-,19-,22+,23+,24-,25-/m1/s1 |
SMILES | CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C25H46O10/c1-3-5-7-9-11-13-20(27)32-16-18(34-21(28)14-12-10-8-6-4-2)17-33-25-24(31)23(30)22(29)19(15-26)35-25/h18-19,22-26,29-31H,3-17H2,1-2H3/t18-,19-,22+,23+,24-,25-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][C:20](=[O:27])[O:32][CH2:16][C@H:18]([CH2:17][O:33][C@H:25]1[C@H:24]([OH:31])[C@@H:23]([OH:30])[C@@H:22]([OH:29])[C@@H:19]([CH2:15][OH:26])[O:35]1)[O:34][C:21]([CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:28] |
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