| Properties | Image |
|---|
| MNX_ID | MNXM32904 |
 |
| reference | chebi:528918 |
| formula | C40H71NO9 |
| global charge | 0 |
| mol weight | 710.006 |
| InChIKey | WQDDUOYIJXNUHJ-WVLAUNTOSA-N |
| InChI | InChI=1S/C40H71NO9/c1-2-3-4-5-6-7-8-9-10-13-16-22-27-33(43)36(45)32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)41-35(44)28-23-17-14-11-12-15-19-24-31-25-20-18-21-26-31/h18,20-21,25-26,32-34,36-40,42-43,45-48H,2-17,19,22-24,27-30H2,1H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1 |
| SMILES | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCC1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C40H71NO9/c1-2-3-4-5-6-7-8-9-10-13-16-22-27-33(43)36(45)32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)41-35(44)28-23-17-14-11-12-15-19-24-31-25-20-18-21-26-31/h18,20-21,25-26,32-34,36-40,42-43,45-48H,2-17,19,22-24,27-30H2,1H3,(H,41,44)/t32-,33+,34+,36-,37-,38-,39+,40-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:13][CH2:16][CH2:22][CH2:27][C@H:33]([C@H:36]([C@H:32]([CH2:30][O:49][C@@H:40]1[C@H:39]([OH:48])[C@@H:38]([OH:47])[C@@H:37]([OH:46])[C@@H:34]([CH2:29][OH:42])[O:50]1)[N:41]=[C:35]([CH2:28][CH2:23][CH2:17][CH2:14][CH2:11][CH2:12][CH2:15][CH2:19][CH2:24][C:31]1=[CH:25][CH:20]=[CH:18][CH:21]=[CH:26]1)[OH:44])[OH:45])[OH:43] |
|