| Properties | Image |
MNX_ID | MNXM363778 |
 |
reference | slm:000229896 |
formula | C62H118O6 |
global charge | 0 |
mol weight | 959.62 |
InChIKey | HDTAFUWGRMIZLA-QNHJXTLCSA-N |
InChI | InChI=1S/C62H118O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-38-42-46-50-54-61(64)67-57-59(68-62(65)55-51-47-43-39-35-36-40-44-48-52-58(3)4)56-66-60(63)53-49-45-41-37-33-31-29-20-18-16-14-12-10-8-6-2/h16,18,58-59H,5-15,17,19-57H2,1-4H3/b18-16+/t59-/m0/s1 |
SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C62H118O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-38-42-46-50-54-61(64)67-57-59(68-62(65)55-51-47-43-39-35-36-40-44-48-52-58(3)4)56-66-60(63)53-49-45-41-37-33-31-29-20-18-16-14-12-10-8-6-2/h16,18,58-59H,5-15,17,19-57H2,1-4H3/b18-16+/t59-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][C:61](=[O:64])[O:67][CH2:57][C@H:59]([CH2:56][O:66][C:60]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:31][CH2:29][CH2:20]/[CH:18]=[CH:16]/[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:63])[O:68][C:62]([CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH:58]([CH3:3])[CH3:4])=[O:65] |
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