| Properties | Image |
MNX_ID | MNXM327101 |
 |
reference | slm:000228995 |
formula | C63H106O6 |
global charge | 0 |
mol weight | 959.535 |
InChIKey | AQORHRQQJCOYIS-VTTJTOFKSA-N |
InChI | InChI=1S/C63H106O6/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/h16-17,19-20,25-26,28,30-31,33-34,36,41-42,44-45,60H,4-15,18,21-24,27,29,32,35,37-40,43,46-59H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,34-26-,36-33-,44-41-,45-42-/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)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C63H106O6/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/h16-17,19-20,25-26,28,30-31,33-34,36,41-42,44-45,60H,4-15,18,21-24,27,29,32,35,37-40,43,46-59H2,1-3H3/b19-16-,20-17-,28-25-,31-30-,34-26-,36-33-,44-41-,45-42-/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]/[CH:34]=[CH:26]\[CH2:23]/[CH:20]=[CH: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]/[CH:45]=[CH:42]\[CH2:39][CH2:35][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66] |
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