| Properties | Image |
|---|
| MNX_ID | MNXM193146 |
 |
| reference | slm:000124956 |
| formula | C45H76O5 |
| global charge | 0 |
| mol weight | 697.098 |
| InChIKey | VITQFBCDUQFVAK-PVLCRLKQSA-N |
| InChI | InChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,24,26,43,46H,3-4,6,8-10,12,15,18,20,23,25,27-42H2,1-2H3/b7-5-,13-11-,16-14+,19-17-,22-21-,26-24-/t43-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,24,26,43,46H,3-4,6,8-10,12,15,18,20,23,25,27-42H2,1-2H3/b7-5-,13-11-,16-14+,19-17-,22-21-,26-24-/t43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:48])[O:50][CH2:42][C@@H:43]([CH2:41][O:49][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47])[OH:46] |
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