| Properties | Image |
MNX_ID | MNXM276585 |
 |
reference | slm:000232637 |
formula | C63H110O6 |
global charge | 0 |
mol weight | 963.567 |
InChIKey | WZNGDUUXPZVXHQ-BMWAAILXSA-N |
InChI | InChI=1S/C63H110O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-39-41-44-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-43-18-15-12-9-6-3)59-68-62(65)56-53-50-47-45-42-40-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h16,19,23-26,29,31,35,37,41,44,60H,4-15,17-18,20-22,27-28,30,32-34,36,38-40,42-43,45-59H2,1-3H3/b19-16-,25-23-,26-24-,31-29-,37-35-,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)CCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C63H110O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-39-41-44-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-43-18-15-12-9-6-3)59-68-62(65)56-53-50-47-45-42-40-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h16,19,23-26,29,31,35,37,41,44,60H,4-15,17-18,20-22,27-28,30,32-34,36,38-40,42-43,45-59H2,1-3H3/b19-16-,25-23-,26-24-,31-29-,37-35-,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]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39]/[CH:41]=[CH:44]\[CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][CH2:58][C@H:60]([CH2:59][O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:45][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:65])[O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:43][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66] |
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