| Properties | Image |
|---|
| MNX_ID | MNXM103019 |
 |
| reference | chebi:69751 |
| formula | C42H83NO5 |
| global charge | 0 |
| mol weight | 682.128 |
| InChIKey | SOZSUYGVBDXLLZ-HSMPPUOJSA-N |
| InChI | InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h12,14,38-41,44-47H,3-11,13,15-37H2,1-2H3,(H,43,48)/b14-12+/t38-,39+,40+,41-/m0/s1 |
| SMILES | CCCCC/C=C/CCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h12,14,38-41,44-47H,3-11,13,15-37H2,1-2H3,(H,43,48)/b14-12+/t38-,39+,40+,41-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C@H:40]([C:42](=[N:43][C@@H:38]([CH2:37][OH:44])[C@@H:41]([C@@H:39]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16]/[CH:14]=[CH:12]/[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:45])[OH:47])[OH:48])[OH:46] |
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