| Properties | Image |
MNX_ID | MNXM191961 |
 |
reference | slm:000231204 |
formula | C63H108O6 |
global charge | 0 |
mol weight | 961.551 |
InChIKey | QRNBWHWJHWQRDX-OHJPSMBNSA-N |
InChI | InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,35-36,41,44,60H,4-15,17-18,21-22,24,26,29,32,34,37-40,42-43,45-59H2,1-3H3/b19-16-,23-20+,28-25-,31-30-,35-27-,36-33-,44-41-/t60-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27-28,30-31,33,35-36,41,44,60H,4-15,17-18,21-22,24,26,29,32,34,37-40,42-43,45-59H2,1-3H3/b19-16-,23-20+,28-25-,31-30-,35-27-,36-33-,44-41-/t60-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:36]\[CH2:38]/[CH:41]=[CH: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][CH2:37][CH2:34][CH2:26]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:35]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66] |
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