| Properties | Image |
MNX_ID | MNXM193065 |
 |
reference | slm:000206214 |
formula | C60H112O6 |
global charge | 0 |
mol weight | 929.55 |
InChIKey | BESNCTDJCIJGQP-GZTCZDSRSA-N |
InChI | InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-35-37-39-42-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-40-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-41-38-36-34-25-23-20-17-14-11-8-5-2/h20,23-24,26,57H,4-19,21-22,25,27-56H2,1-3H3/b23-20+,26-24-/t57-/m1/s1 |
SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C60H112O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-35-37-39-42-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-40-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-41-38-36-34-25-23-20-17-14-11-8-5-2/h20,23-24,26,57H,4-19,21-22,25,27-56H2,1-3H3/b23-20+,26-24-/t57-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:24]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:42][CH2:44][CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][CH2:56][C@@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:41][CH2:38][CH2:36][CH2:34][CH2:25]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:61])[O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:40][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63] |
|