| Properties | Image |
|---|
| MNX_ID | MNXM64588 |
 |
| reference | chebi:31908 |
| formula | C39H63NO14 |
| global charge | 0 |
| mol weight | 769.926 |
| InChIKey | REPPNUPKOJKPSP-ZZNWINOMSA-N |
| InChI | InChI=1S/C39H63NO14/c1-21(2)37(46)54-36-25(6)50-30(20-39(36,7)47)52-33-24(5)51-38(32(45)31(33)40(8)9)53-34-26(16-17-41)18-22(3)27(42)15-13-11-12-14-23(4)49-29(44)19-28(43)35(34)48-10/h11-13,15,17,21-26,28,30-36,38,43,45,47H,14,16,18-20H2,1-10H3/b12-11+,15-13+/t22-,23-,24-,25+,26+,28-,30+,31-,32-,33-,34+,35+,36+,38+,39-/m1/s1 |
| SMILES | CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C39H63NO14/c1-21(2)37(46)54-36-25(6)50-30(20-39(36,7)47)52-33-24(5)51-38(32(45)31(33)40(8)9)53-34-26(16-17-41)18-22(3)27(42)15-13-11-12-14-23(4)49-29(44)19-28(43)35(34)48-10/h11-13,15,17,21-26,28,30-36,38,43,45,47H,14,16,18-20H2,1-10H3/b12-11+,15-13+/t22-,23-,24-,25+,26+,28-,30+,31-,32-,33-,34+,35+,36+,38+,39-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:21]([CH3:2])[C:37](=[O:46])[O:54][C@H:36]1[C@H:25]([CH3:6])[O:50][C@@H:30]([O:52][C@@H:33]2[C@@H:24]([CH3:5])[O:51][C@@H:38]([O:53][C@H:34]3[C@@H:26]([CH2:16][CH:17]=[O:41])[CH2:18][C@@H:22]([CH3:3])[C:27](=[O:42])/[CH:15]=[CH:13]/[CH:11]=[CH:12]/[CH2:14][C@@H:23]([CH3:4])[O:49][C:29](=[O:44])[CH2:19][C@@H:28]([OH:43])[C@@H:35]3[O:48][CH3:10])[C@H:32]([OH:45])[C@H:31]2[N:40]([CH3:8])[CH3:9])[CH2:20][C@@:39]1([CH3:7])[OH:47] |
|