| Properties | Image |
|---|
| MNX_ID | MNXM1188759 |
 |
| reference | envipathM:...c35f0369d00e |
| formula | C37H65NO15 |
| global charge | 0 |
| mol weight | 763.919 |
| InChIKey | SLBLKYMNRBFKQC-PCZSLOANSA-N |
| InChI | InChI=1S/C37H65NO15/c1-18-14-33(7,44)32(52-25-17-37(47,38(11)12)15-19(2)49-25)36(10,46)29(51-24-16-34(8,48-13)28(42)23(6)50-24)21(4)31(43)53-30(22(5)39)35(9,45)27(41)20(3)26(18)40/h18-25,28-30,32,39,42,44-47H,14-17H2,1-13H3/t18-,19-,20+,21-,22?,23+,24+,25+,28+,29-,30-,32+,33-,34-,35+,36-,37-/m1/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C(C)O)[C@@](C)(O)C(=O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@H]3C[C@@](O)(N(C)C)C[C@@H](C)O3)[C@]2(C)O)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO15/c1-18-14-33(7,44)32(52-25-17-37(47,38(11)12)15-19(2)49-25)36(10,46)29(51-24-16-34(8,48-13)28(42)23(6)50-24)21(4)31(43)53-30(22(5)39)35(9,45)27(41)20(3)26(18)40/h18-25,28-30,32,39,42,44-47H,14-17H2,1-13H3/t18-,19-,20+,21-,22?,23+,24+,25+,28+,29-,30-,32+,33-,34-,35+,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:14][C@@:33]([CH3:7])([OH:44])[C@H:32]([O:52][C@H:25]2[CH2:17][C@:37]([N:38]([CH3:11])[CH3:12])([OH:47])[CH2:15][C@@H:19]([CH3:2])[O:49]2)[C@:36]([CH3:10])([OH:46])[C@H:29]([O:51][C@H:24]2[CH2:16][C@@:34]([CH3:8])([O:48][CH3:13])[C@@H:28]([OH:42])[C@H:23]([CH3:6])[O:50]2)[C@@H:21]([CH3:4])[C:31](=[O:43])[O:53][C@H:30]([CH:22]([CH3:5])[OH:39])[C@@:35]([CH3:9])([OH:45])[C:27](=[O:41])[C@@H:20]([CH3:3])[C:26]1=[O:40] |
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