| Properties | Image |
|---|
| MNX_ID | MNXM19313 |
 |
| reference | chebi:51077 |
| formula | C35H66O13 |
| global charge | 0 |
| mol weight | 694.9 |
| InChIKey | NKQRPULMZRZDJA-IPORWCFUSA-N |
| InChI | InChI=1S/C35H66O13/c1-3-4-5-6-10-13-16-19-24(20-17-14-11-8-7-9-12-15-18-21-27(38)44-2)45-35-33(31(42)29(40)26(23-37)47-35)48-34-32(43)30(41)28(39)25(22-36)46-34/h24-26,28-37,39-43H,3-23H2,1-2H3/t24?,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-/m1/s1 |
| SMILES | CCCCCCCCCC(CCCCCCCCCCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H66O13/c1-3-4-5-6-10-13-16-19-24(20-17-14-11-8-7-9-12-15-18-21-27(38)44-2)45-35-33(31(42)29(40)26(23-37)47-35)48-34-32(43)30(41)28(39)25(22-36)46-34/h24-26,28-37,39-43H,3-23H2,1-2H3/t24?,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:10][CH2:13][CH2:16][CH2:19][CH:24]([CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:7][CH2:9][CH2:12][CH2:15][CH2:18][CH2:21][C:27](=[O:38])[O:44][CH3:2])[O:45][C@H:35]1[C@H:33]([O:48][C@H:34]2[C@H:32]([OH:43])[C@@H:30]([OH:41])[C@H:28]([OH:39])[C@@H:25]([CH2:22][OH:36])[O:46]2)[C@@H:31]([OH:42])[C@H:29]([OH:40])[C@@H:26]([CH2:23][OH:37])[O:47]1 |
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