| Properties | Image |
MNX_ID | MNXM315519 |
 |
reference | slm:000268073 |
formula | C67H118O6 |
global charge | 0 |
mol weight | 1019.675 |
InChIKey | UXRPOLNVLFRCIP-NBMDFZQASA-N |
InChI | InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32-33,36,39,44,47,64H,4-15,17-18,20-24,27,30-31,34-35,37-38,40-43,45-46,48-63H2,1-3H3/b19-16-,28-25-,29-26-,33-32-,39-36-,47-44-/t64-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32-33,36,39,44,47,64H,4-15,17-18,20-24,27,30-31,34-35,37-38,40-43,45-46,48-63H2,1-3H3/b19-16-,28-25-,29-26-,33-32-,39-36-,47-44-/t64-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:33]\[CH2:35]/[CH:36]=[CH:39]\[CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][C:66](=[O:69])[O:72][CH2:63][C@H:64]([CH2:62][O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:41][CH2:38][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:68])[O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70] |
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