| Properties | Image |
MNX_ID | MNXM351020 |
 |
reference | slm:000127782 |
formula | C47H84O6 |
global charge | 0 |
mol weight | 745.183 |
InChIKey | CIWQHFIVTZYBFQ-NBERAODASA-N |
InChI | InChI=1S/C47H84O6/c1-4-7-10-13-16-19-21-22-23-24-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-25-20-17-14-11-8-5-2/h16,19,22-23,26,29,44H,4-15,17-18,20-21,24-25,27-28,30-43H2,1-3H3/b19-16-,23-22-,29-26-/t44-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C47H84O6/c1-4-7-10-13-16-19-21-22-23-24-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-25-20-17-14-11-8-5-2/h16,19,22-23,26,29,44H,4-15,17-18,20-21,24-25,27-28,30-43H2,1-3H3/b19-16-,23-22-,29-26-/t44-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:26]=[CH:29]\[CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:50])[O:53][C@H:44]([CH2:42][O:51][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:48])[CH2:43][O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:25][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:49] |
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