| Properties | Image |
MNX_ID | MNXM178566 |
 |
reference | slm:000130400 |
formula | C49H84O6 |
global charge | 0 |
mol weight | 769.205 |
InChIKey | PWMSPJZFRKUODZ-CIOREOKXSA-N |
InChI | InChI=1S/C49H84O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h10-11,13-15,18-20,22-23,46H,4-9,12,16-17,21,24-45H2,1-3H3/b13-10-,14-11-,18-15-,22-19-,23-20- |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCC)OC(=O)CCCCCCC/C=C\CCCC |
MNX internals
InChI (mnx) | InChI=1/C49H84O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-41-47(50)53-44-46(55-49(52)43-40-37-34-31-26-21-18-15-12-9-6-3)45-54-48(51)42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h10-11,13-15,18-20,22-23,46H,4-9,12,16-17,21,24-45H2,1-3H3/b13-10-,14-11-,18-15-,22-19-,23-20- |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7]/[CH:10]=[CH:13]\[CH2:16]/[CH:19]=[CH:22]\[CH2:24][CH2:27][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:50])[O:53][CH2:44][CH:46]([CH2:45][O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:28][CH2:25]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:51])[O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:26][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:52] |
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