| Properties | Image |
|---|
| MNX_ID | MNXM197533 |
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| reference | slm:000123036 |
| formula | C43H70O5 |
| global charge | 0 |
| mol weight | 667.028 |
| InChIKey | ALAVFVDPPMRKHU-AQPZEEILSA-N |
| InChI | InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,24,26,41,44H,3-4,9-10,15-16,21-23,25,27-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t41-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,24,26,41,44H,3-4,9-10,15-16,21-23,25,27-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t41-/m0/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]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:45])[O:47][CH2:40][C@H:41]([CH2:39][OH:44])[O:48][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:46] |
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