| Properties | Image |
MNX_ID | MNXM191378 |
 |
reference | slm:000251880 |
formula | C65H114O6 |
global charge | 0 |
mol weight | 991.621 |
InChIKey | RDWGEFPWYMUGHX-IVSVWQHQSA-N |
InChI | InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,38,41,62H,4-7,9-10,12-16,18-19,22-23,27,30-37,39-40,42-61H2,1-3H3/b11-8-,20-17-,24-21+,28-25-,29-26-,41-38-/t62-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,38,41,62H,4-7,9-10,12-16,18-19,22-23,27,30-37,39-40,42-61H2,1-3H3/b11-8-,20-17-,24-21+,28-25-,29-26-,41-38-/t62-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][C:64](=[O:67])[O:70][CH2:61][C@@H:62]([CH2:60][O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66])[O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:38]\[CH2:34]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:68] |
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