| Properties | Image |
|---|
| MNX_ID | MNXM683040 |
 |
| reference | metacycM:CPD-19131 |
| formula | C33H58O14 |
| global charge | 0 |
| mol weight | 678.813 |
| InChIKey | BBEFLKRIFVIFJA-JLHPCIOUSA-N |
| InChI | InChI=1S/C33H58O14/c1-6-7-8-9-10-11-12-13-14-15-24(37)43-29-27(40)32(42-23(18-35)28(29)44-25(38)16-20(2)3)47-33(19-36)30(45-31(41)21(4)5)26(39)22(17-34)46-33/h20-23,26-30,32,34-36,39-40H,6-19H2,1-5H3/t22-,23-,26-,27-,28-,29-,30+,32-,33+/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)C(C)C)O[C@H](CO)[C@H]1OC(=O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C33H58O14/c1-6-7-8-9-10-11-12-13-14-15-24(37)43-29-27(40)32(42-23(18-35)28(29)44-25(38)16-20(2)3)47-33(19-36)30(45-31(41)21(4)5)26(39)22(17-34)46-33/h20-23,26-30,32,34-36,39-40H,6-19H2,1-5H3/t22-,23-,26-,27-,28-,29-,30+,32-,33+/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:24](=[O:37])[O:43][C@@H:29]1[C@@H:27]([OH:40])[C@@H:32]([O:47][C@@:33]2([CH2:19][OH:36])[C@@H:30]([O:45][C:31]([CH:21]([CH3:4])[CH3:5])=[O:41])[C@H:26]([OH:39])[C@@H:22]([CH2:17][OH:34])[O:46]2)[O:42][C@H:23]([CH2:18][OH:35])[C@H:28]1[O:44][C:25]([CH2:16][CH:20]([CH3:2])[CH3:3])=[O:38] |
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