| Properties | Image |
|---|
| MNX_ID | MNXM683052 |
 |
| reference | metacycM:CPD-19122 |
| formula | C34H60O14 |
| global charge | 0 |
| mol weight | 692.84 |
| InChIKey | GLHMEFATBWIJIR-YUOBEJEYSA-N |
| InChI | InChI=1S/C34H60O14/c1-6-8-9-10-11-12-13-14-15-16-25(38)45-31-27(40)23(18-35)47-34(31,20-37)48-33-28(41)30(46-32(42)22(5)7-2)29(24(19-36)43-33)44-26(39)17-21(3)4/h21-24,27-31,33,35-37,40-41H,6-20H2,1-5H3/t22?,23-,24-,27-,28-,29-,30-,31+,33-,34+/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](OC(=O)CC(C)C)[C@H](OC(=O)C(C)CC)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C34H60O14/c1-6-8-9-10-11-12-13-14-15-16-25(38)45-31-27(40)23(18-35)47-34(31,20-37)48-33-28(41)30(46-32(42)22(5)7-2)29(24(19-36)43-33)44-26(39)17-21(3)4/h21-24,27-31,33,35-37,40-41H,6-20H2,1-5H3/t22?,23-,24-,27-,28-,29-,30-,31+,33-,34+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:25](=[O:38])[O:45][C@H:31]1[C@H:27]([OH:40])[C@@H:23]([CH2:18][OH:35])[O:47][C@@:34]1([CH2:20][OH:37])[O:48][C@@H:33]1[C@H:28]([OH:41])[C@@H:30]([O:46][C:32]([CH:22]([CH3:5])[CH2:7][CH3:2])=[O:42])[C@H:29]([O:44][C:26]([CH2:17][CH:21]([CH3:3])[CH3:4])=[O:39])[C@@H:24]([CH2:19][OH:36])[O:43]1 |
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