| Properties | Image |
|---|
| MNX_ID | MNXM103824 |
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| reference | chebi:68069 |
| formula | C40H73NO9 |
| global charge | 0 |
| mol weight | 712.022 |
| InChIKey | ZSSGCZVAMMVAPO-CTUXNYLFSA-N |
| InChI | InChI=1S/C40H73NO9/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(44)39(48)41-32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)33(43)28-26-24-22-20-18-14-12-10-8-6-4-2/h18,20,26-29,32-38,40,42-47H,3-17,19,21-25,30-31H2,1-2H3,(H,41,48)/b20-18-,28-26+,29-27+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1 |
| SMILES | CCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)/C=C/CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C40H73NO9/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(44)39(48)41-32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)33(43)28-26-24-22-20-18-14-12-10-8-6-4-2/h18,20,26-29,32-38,40,42-47H,3-17,19,21-25,30-31H2,1-2H3,(H,41,48)/b20-18-,28-26+,29-27+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25]/[CH:27]=[CH:29]/[C@H:34]([C:39](=[N:41][C@@H:32]([CH2:31][O:49][C@H:40]1[C@H:38]([OH:47])[C@@H:37]([OH:46])[C@H:36]([OH:45])[C@@H:35]([CH2:30][OH:42])[O:50]1)[C@@H:33](/[CH:28]=[CH:26]/[CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:43])[OH:48])[OH:44] |
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