| Properties | Image |
MNX_ID | MNXM362918 |
 |
reference | slm:000225621 |
formula | C62H114O6 |
global charge | 0 |
mol weight | 955.588 |
InChIKey | WOAQGYDJYHPZSV-OFSHEZIASA-N |
InChI | InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,26,34,40,43,59H,4-16,18-19,21-25,27-33,35-39,41-42,44-58H2,1-3H3/b20-17-,34-26-,43-40-/t59-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C62H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h17,20,26,34,40,43,59H,4-16,18-19,21-25,27-33,35-39,41-42,44-58H2,1-3H3/b20-17-,34-26-,43-40-/t59-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][C:62](=[O:65])[O:68][C@H:59]([CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63])[CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:40]\[CH2:37]/[CH:34]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64] |
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