| Properties | Image |
MNX_ID | MNXM360104 |
 |
reference | slm:000287436 |
formula | C70H130O6 |
global charge | 0 |
mol weight | 1067.804 |
InChIKey | DAEVQPNBFUNJIR-MMQOWXHTSA-N |
InChI | InChI=1S/C70H130O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-41-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-40-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,67H,4-7,9-10,12-16,18-19,21-25,27-28,30-66H2,1-3H3/b11-8-,20-17-,29-26-/t67-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C70H130O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-41-42-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-43-40-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,67H,4-7,9-10,12-16,18-19,21-25,27-28,30-66H2,1-3H3/b11-8-,20-17-,29-26-/t67-/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][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][C:69](=[O:72])[O:75][CH2:66][C@@H:67]([CH2:65][O:74][C:68]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:71])[O:76][C:70]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:73] |
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