| Properties | Image |
|---|
| MNX_ID | MNXM1132278 |
 |
| reference | metacycM:CPD-22867 |
| formula | C38H62O17 |
| global charge | 0 |
| mol weight | 790.897 |
| InChIKey | HZXGKEAHDUWOHK-CCHLHAOVSA-N |
| InChI | InChI=1S/C38H62O17/c1-11-20(5)15-28(41)51-31-27(18-48-25(10)40)50-37(33(53-36(46)23(8)14-4)32(31)52-29(42)16-21(6)12-2)55-38(19-49-35(45)22(7)13-3)34(44)30(43)26(54-38)17-47-24(9)39/h20-23,26-27,30-34,37,43-44H,11-19H2,1-10H3/t20?,21?,22?,23?,26-,27-,30-,31-,32+,33-,34+,37-,38+/m1/s1 |
| SMILES | CCC(C)CC(=O)O[C@@H]1[C@@H](OC(=O)C(C)CC)[C@@H](O[C@]2(COC(=O)C(C)CC)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)O[C@H](COC(C)=O)[C@H]1OC(=O)CC(C)CC |
MNX internals
| InChI (mnx) | InChI=1/C38H62O17/c1-11-20(5)15-28(41)51-31-27(18-48-25(10)40)50-37(33(53-36(46)23(8)14-4)32(31)52-29(42)16-21(6)12-2)55-38(19-49-35(45)22(7)13-3)34(44)30(43)26(54-38)17-47-24(9)39/h20-23,26-27,30-34,37,43-44H,11-19H2,1-10H3/t20?,21?,22?,23?,26-,27-,30-,31-,32+,33-,34+,37-,38+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:11][CH:20]([CH3:5])[CH2:15][C:28](=[O:41])[O:51][C@@H:31]1[C@@H:27]([CH2:18][O:48][C:25]([CH3:10])=[O:40])[O:50][C@H:37]([O:55][C@@:38]2([CH2:19][O:49][C:35]([CH:22]([CH3:7])[CH2:13][CH3:3])=[O:45])[C@@H:34]([OH:44])[C@H:30]([OH:43])[C@@H:26]([CH2:17][O:47][C:24]([CH3:9])=[O:39])[O:54]2)[C@H:33]([O:53][C:36]([CH:23]([CH3:8])[CH2:14][CH3:4])=[O:46])[C@H:32]1[O:52][C:29]([CH2:16][CH:21]([CH3:6])[CH2:12][CH3:2])=[O:42] |
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