| Properties | Image |
MNX_ID | MNXM320862 |
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reference | slm:000204295 |
formula | C60H110O6 |
global charge | 0 |
mol weight | 927.534 |
InChIKey | MXOPPCUDVMBFQR-CRLICKJSSA-N |
InChI | InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,32,57H,4-7,9-10,12-16,18-19,21-25,27-31,33-56H2,1-3H3/b11-8-,20-17-,32-26-/t57-/m0/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C60H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,32,57H,4-7,9-10,12-16,18-19,21-25,27-31,33-56H2,1-3H3/b11-8-,20-17-,32-26-/t57-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:63])[O:66][C@@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:32]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:62] |
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