| Properties | Image |
|---|
| MNX_ID | MNXM185100 |
 |
| reference | slm:000124231 |
| formula | C44H80O5 |
| global charge | 0 |
| mol weight | 689.119 |
| InChIKey | CAIWRFNBJOQDNR-MRTFGHBBSA-N |
| InChI | InChI=1S/C44H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-43(46)48-41-42(40-45)49-44(47)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,42,45H,3-10,12,14-16,18,20-21,24-41H2,1-2H3/b13-11-,19-17-,23-22-/t42-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-43(46)48-41-42(40-45)49-44(47)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,42,45H,3-10,12,14-16,18,20-21,24-41H2,1-2H3/b13-11-,19-17-,23-22-/t42-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:46])[O:48][CH2:41][C@H:42]([CH2:40][OH:45])[O:49][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47] |
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