| Properties | Image |
MNX_ID | MNXM315546 |
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reference | slm:000222201 |
formula | C62H110O6 |
global charge | 0 |
mol weight | 951.556 |
InChIKey | CJUXIQMCQZVEJX-SJXKPSSQSA-N |
InChI | InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30-31,34,36,59H,4-15,17-18,20-23,28-29,32-33,35,37-58H2,1-3H3/b19-16-,26-24-,27-25-,31-30-,36-34-/t59-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C62H110O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,30-31,34,36,59H,4-15,17-18,20-23,28-29,32-33,35,37-58H2,1-3H3/b19-16-,26-24-,27-25-,31-30-,36-34-/t59-/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:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:31]\[CH2:33]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][CH2:58][C@H:59]([CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63])[O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32][CH2:29]/[CH:27]=[CH:25]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:65] |
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