| Properties | Image |
|---|
| MNX_ID | MNXM102987 |
 |
| reference | chebi:68036 |
| formula | C42H77NO7 |
| global charge | 0 |
| mol weight | 708.078 |
| InChIKey | YTZVSMIKWGYJCS-KTQSWVMESA-N |
| InChI | InChI=1S/C42H77NO7/c1-4-7-10-13-16-19-20-22-25-27-30-33-40(46)49-36-38(50-41(47)34-31-28-24-18-15-12-9-6-3)42(48)37(35-44)43-39(45)32-29-26-23-21-17-14-11-8-5-2/h12,15,24,28,37-38,42,44,48H,4-11,13-14,16-23,25-27,29-36H2,1-3H3,(H,43,45)/b15-12-,28-24-/t37-,38-,42+/m0/s1 |
| SMILES | CCC/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H77NO7/c1-4-7-10-13-16-19-20-22-25-27-30-33-40(46)49-36-38(50-41(47)34-31-28-24-18-15-12-9-6-3)42(48)37(35-44)43-39(45)32-29-26-23-21-17-14-11-8-5-2/h12,15,24,28,37-38,42,44,48H,4-11,13-14,16-23,25-27,29-36H2,1-3H3,(H,43,45)/b15-12-,28-24-/t37-,38-,42+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:20][CH2:22][CH2:25][CH2:27][CH2:30][CH2:33][C:40](=[O:46])[O:49][CH2:36][C@@H:38]([C@@H:42]([C@H:37]([CH2:35][OH:44])[N:43]=[C:39]([CH2:32][CH2:29][CH2:26][CH2:23][CH2:21][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:45])[OH:48])[O:50][C:41]([CH2:34][CH2:31]/[CH:28]=[CH:24]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:47] |
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