| Properties | Image |
MNX_ID | MNXM332778 |
 |
reference | slm:000199708 |
formula | C60H104O6 |
global charge | 0 |
mol weight | 921.486 |
InChIKey | JBBUPGPSGJHLFF-SGNFXEDXSA-N |
InChI | InChI=1S/C60H104O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-32-36-40-44-48-52-59(62)65-55-57(66-60(63)53-49-45-41-37-33-29-30-34-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-31-27-25-20-18-16-14-12-10-8-6-2/h13,15,19-21,23-25,28,32,40,44,56-57H,5-12,14,16-18,22,26-27,29-31,33-39,41-43,45-55H2,1-4H3/b15-13-,21-19-,24-23-,25-20-,32-28-,44-40-/t57-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C60H104O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-32-36-40-44-48-52-59(62)65-55-57(66-60(63)53-49-45-41-37-33-29-30-34-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-31-27-25-20-18-16-14-12-10-8-6-2/h13,15,19-21,23-25,28,32,40,44,56-57H,5-12,14,16-18,22,26-27,29-31,33-39,41-43,45-55H2,1-4H3/b15-13-,21-19-,24-23-,25-20-,32-28-,44-40-/t57-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:26]/[CH:28]=[CH:32]\[CH2:36]/[CH:40]=[CH:44]\[CH2:48][CH2:52][C:59](=[O:62])[O:65][CH2:55][C@@H:57]([CH2:54][O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27]/[CH:25]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:61])[O:66][C:60]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH:56]([CH3:3])[CH3:4])=[O:63] |
|