| Properties | Image |
|---|
| MNX_ID | MNXM1191672 |
 |
| reference | envipathM:...583d20a880ef |
| formula | C36H63NO14 |
| global charge | 0 |
| mol weight | 733.893 |
| InChIKey | KZECVMUECBQIJU-JHDVGHAWSA-N |
| InChI | InChI=1S/C36H63NO14/c1-12-24-35(9,44)29(40)19(3)27(39)23(17-38)14-33(7,43)31(51-26-16-36(45,37-10)13-18(2)47-26)20(4)28(21(5)32(42)49-24)50-25-15-34(8,46-11)30(41)22(6)48-25/h17-26,28-31,37,40-41,43-45H,12-16H2,1-11H3/t18-,19+,20+,21-,22+,23+,24-,25+,26+,28+,29-,30+,31-,33-,34-,35-,36-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2C[C@@](O)(NC)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C=O)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C36H63NO14/c1-12-24-35(9,44)29(40)19(3)27(39)23(17-38)14-33(7,43)31(51-26-16-36(45,37-10)13-18(2)47-26)20(4)28(21(5)32(42)49-24)50-25-15-34(8,46-11)30(41)22(6)48-25/h17-26,28-31,37,40-41,43-45H,12-16H2,1-11H3/t18-,19+,20+,21-,22+,23+,24-,25+,26+,28+,29-,30+,31-,33-,34-,35-,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:24]1[C@@:35]([CH3:9])([OH:44])[C@H:29]([OH:40])[C@@H:19]([CH3:3])[C:27](=[O:39])[C@H:23]([CH:17]=[O:38])[CH2:14][C@@:33]([CH3:7])([OH:43])[C@H:31]([O:51][C@H:26]2[CH2:16][C@:36]([NH:37][CH3:10])([OH:45])[CH2:13][C@@H:18]([CH3:2])[O:47]2)[C@@H:20]([CH3:4])[C@H:28]([O:50][C@H:25]2[CH2:15][C@@:34]([CH3:8])([O:46][CH3:11])[C@@H:30]([OH:41])[C@H:22]([CH3:6])[O:48]2)[C@@H:21]([CH3:5])[C:32](=[O:42])[O:49]1 |
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