| Properties | Image |
|---|
| MNX_ID | MNXM683055 |
 |
| reference | metacycM:CPD-19055 |
| formula | C32H56O14 |
| global charge | 0 |
| mol weight | 664.786 |
| InChIKey | QZMOYTNIBYYCJU-HJSAGUBHSA-N |
| InChI | InChI=1S/C32H56O14/c1-6-7-8-9-10-11-12-13-23(36)42-29-27(40)31(41-22(17-34)28(29)43-24(37)14-19(2)3)46-32(18-35)30(26(39)21(16-33)45-32)44-25(38)15-20(4)5/h19-22,26-31,33-35,39-40H,6-18H2,1-5H3/t21-,22-,26-,27-,28-,29-,30+,31-,32+/m1/s1 |
| SMILES | CCCCCCCCCC(=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)CC(C)C)O[C@H](CO)[C@H]1OC(=O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C32H56O14/c1-6-7-8-9-10-11-12-13-23(36)42-29-27(40)31(41-22(17-34)28(29)43-24(37)14-19(2)3)46-32(18-35)30(26(39)21(16-33)45-32)44-25(38)15-20(4)5/h19-22,26-31,33-35,39-40H,6-18H2,1-5H3/t21-,22-,26-,27-,28-,29-,30+,31-,32+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:23](=[O:36])[O:42][C@@H:29]1[C@@H:27]([OH:40])[C@@H:31]([O:46][C@@:32]2([CH2:18][OH:35])[C@@H:30]([O:44][C:25]([CH2:15][CH:20]([CH3:4])[CH3:5])=[O:38])[C@H:26]([OH:39])[C@@H:21]([CH2:16][OH:33])[O:45]2)[O:41][C@H:22]([CH2:17][OH:34])[C@H:28]1[O:43][C:24]([CH2:14][CH:19]([CH3:2])[CH3:3])=[O:37] |
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