| Properties | Image |
|---|
| MNX_ID | MNXM156320 |
 |
| reference | slm:000399527 |
| formula | C42H81NO8 |
| global charge | 0 |
| mol weight | 728.109 |
| InChIKey | DDMRYWCSBZPTJO-DYJXBSQNSA-N |
| InChI | InChI=1S/C42H81NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-12-10-8-6-4-2)34-50-42-41(49)40(48)39(47)37(33-44)51-42/h29,31,35-37,39-42,44-45,47-49H,3-28,30,32-34H2,1-2H3,(H,43,46)/b31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1 |
| SMILES | CCCCCCCCC/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)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H81NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-12-10-8-6-4-2)34-50-42-41(49)40(48)39(47)37(33-44)51-42/h29,31,35-37,39-42,44-45,47-49H,3-28,30,32-34H2,1-2H3,(H,43,46)/b31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:38](=[N:43][C@@H:35]([CH2:34][O:50][C@H:42]1[C@H:41]([OH:49])[C@@H:40]([OH:48])[C@H:39]([OH:47])[C@@H:37]([CH2:33][OH:44])[O:51]1)[C@@H:36](/[CH:31]=[CH:29]/[CH2:27][CH2:25][CH2:23][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:45])[OH:46] |
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