| Properties | Image |
|---|
| MNX_ID | MNXM106939 |
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| reference | chebi:71085 |
| formula | C41H79NO9 |
| global charge | 0 |
| mol weight | 730.081 |
| InChIKey | NVEDLCIMJZUQOI-GUFZRRBGSA-N |
| InChI | InChI=1S/C41H79NO9/c1-4-5-6-7-8-9-10-11-12-13-16-20-23-26-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-22-19-17-14-15-18-21-24-27-32(2)3/h25,28,32-39,41,43-48H,4-24,26-27,29-31H2,1-3H3,(H,42,49)/b28-25+/t33-,34+,35?,36+,37+,38-,39+,41+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C41H79NO9/c1-4-5-6-7-8-9-10-11-12-13-16-20-23-26-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-22-19-17-14-15-18-21-24-27-32(2)3/h25,28,32-39,41,43-48H,4-24,26-27,29-31H2,1-3H3,(H,42,49)/b28-25+/t33-,34+,35?,36+,37+,38-,39+,41+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:16][CH2:20][CH2:23][CH2:26][CH2:29][CH:35]([C:40](=[N:42][C@@H:33]([CH2:31][O:50][C@H:41]1[C@H:39]([OH:48])[C@@H:38]([OH:47])[C@H:37]([OH:46])[C@@H:36]([CH2:30][OH:43])[O:51]1)[C@@H:34](/[CH:28]=[CH:25]/[CH2:22][CH2:19][CH2:17][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH:32]([CH3:2])[CH3:3])[OH:44])[OH:49])[OH:45] |
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