| Properties | Image |
|---|
| MNX_ID | MNXM1132270 |
 |
| reference | metacycM:CPD-22859 |
| formula | C32H54O15 |
| global charge | 0 |
| mol weight | 678.769 |
| InChIKey | IYLBMPNFDHKUJI-MPGSVAJHSA-N |
| InChI | InChI=1S/C32H54O15/c1-8-17(4)11-23(36)43-27-21(14-33)42-31(47-32(16-34)30(40)26(39)22(46-32)15-41-20(7)35)29(45-25(38)13-19(6)10-3)28(27)44-24(37)12-18(5)9-2/h17-19,21-22,26-31,33-34,39-40H,8-16H2,1-7H3/t17?,18?,19?,21-,22-,26-,27-,28+,29-,30+,31-,32+/m1/s1 |
| SMILES | CCC(C)CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)CC)[C@@H](O[C@]2(CO)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OC(=O)CC(C)CC |
MNX internals
| InChI (mnx) | InChI=1/C32H54O15/c1-8-17(4)11-23(36)43-27-21(14-33)42-31(47-32(16-34)30(40)26(39)22(46-32)15-41-20(7)35)29(45-25(38)13-19(6)10-3)28(27)44-24(37)12-18(5)9-2/h17-19,21-22,26-31,33-34,39-40H,8-16H2,1-7H3/t17?,18?,19?,21-,22-,26-,27-,28+,29-,30+,31-,32+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][CH:17]([CH3:4])[CH2:11][C:23](=[O:36])[O:43][C@@H:27]1[C@@H:21]([CH2:14][OH:33])[O:42][C@H:31]([O:47][C@@:32]2([CH2:16][OH:34])[C@@H:30]([OH:40])[C@H:26]([OH:39])[C@@H:22]([CH2:15][O:41][C:20]([CH3:7])=[O:35])[O:46]2)[C@H:29]([O:45][C:25]([CH2:13][CH:19]([CH3:6])[CH2:10][CH3:3])=[O:38])[C@H:28]1[O:44][C:24]([CH2:12][CH:18]([CH3:5])[CH2:9][CH3:2])=[O:37] |
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