| Properties | Image |
MNX_ID | MNXM364589 |
 |
reference | slm:000232025 |
formula | C63H110O6 |
global charge | 0 |
mol weight | 963.567 |
InChIKey | DLNRTJJCMBABCF-AIXYCAESSA-N |
InChI | InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-34-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,37,39,45,48,60H,4-7,9-10,12-14,16,19,21-24,26,28-36,38,40-44,46-47,49-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,39-37-,48-45-/t60-/m0/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-34-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,37,39,45,48,60H,4-7,9-10,12-14,16,19,21-24,26,28-36,38,40-44,46-47,49-59H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,39-37-,48-45-/t60-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][C:62](=[O:65])[O:68][CH2:59][C@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:37]\[CH2:34]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:66] |
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