| Properties | Image |
|---|
| MNX_ID | MNXM317505 |
 |
| reference | slm:000233317 |
| formula | C63H112O6 |
| global charge | 0 |
| mol weight | 965.583 |
| InChIKey | QUYMZHXDUOVEHD-VKOMBGNNSA-N |
| InChI | InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30-31,34,36,60H,4-14,17,20-23,25,27-29,32-33,35,37-59H2,1-3H3/b18-15-,19-16-,26-24-,31-30-,36-34-/t60-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,30-31,34,36,60H,4-14,17,20-23,25,27-29,32-33,35,37-59H2,1-3H3/b18-15-,19-16-,26-24-,31-30-,36-34-/t60-/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][CH2:41][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][CH2:48][CH2:45][CH2:42][CH2:39][CH2:37][CH2:35][CH2:32][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66] |
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