| Properties | Image |
|---|
| MNX_ID | MNXM187146 |
 |
| reference | slm:000194862 |
| formula | C60H98O6 |
| global charge | 0 |
| mol weight | 915.438 |
| InChIKey | VNIVKIJRDLOKPJ-YUUDBRLISA-N |
| InChI | InChI=1S/C60H98O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-40-45-49-53-60(63)66-57(55-65-59(62)52-48-44-41-37-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-33-31-29-27-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,24-25,28-31,34,36,56-57H,5-7,9,11-12,17-18,23,26-27,32-33,35,37-55H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,22-20-,25-24-,30-28-,31-29-,36-34-/t57-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H98O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-40-45-49-53-60(63)66-57(55-65-59(62)52-48-44-41-37-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-33-31-29-27-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,24-25,28-31,34,36,56-57H,5-7,9,11-12,17-18,23,26-27,32-33,35,37-55H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,22-20-,25-24-,30-28-,31-29-,36-34-/t57-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:40][CH2:45][CH2:49][CH2:53][C:60](=[O:63])[O:66][C@@H:57]([CH2:54][O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:33]/[CH:31]=[CH:29]\[CH2:27]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])=[O:61])[CH2:55][O:65][C:59]([CH2:52][CH2:48][CH2:44][CH2:41][CH2:37][CH2:38][CH2:42][CH2:46][CH2:50][CH:56]([CH3:3])[CH3:4])=[O:62] |
|