| Properties | Image |
MNX_ID | MNXM218977 |
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reference | slm:000276939 |
formula | C68H126O6 |
global charge | 0 |
mol weight | 1039.75 |
InChIKey | AEQQOLCJLNREEV-JCPDDGKBSA-N |
InChI | InChI=1S/C68H126O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-40-45-49-53-57-61-68(71)74-65(63-73-67(70)60-56-52-48-44-41-37-38-42-46-50-54-58-64(3)4)62-72-66(69)59-55-51-47-43-39-35-33-31-29-24-22-20-18-16-14-12-10-8-6-2/h14,16,19-22,64-65H,5-13,15,17-18,23-63H2,1-4H3/b16-14-,21-19-,22-20-/t65-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C68H126O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-40-45-49-53-57-61-68(71)74-65(63-73-67(70)60-56-52-48-44-41-37-38-42-46-50-54-58-64(3)4)62-72-66(69)59-55-51-47-43-39-35-33-31-29-24-22-20-18-16-14-12-10-8-6-2/h14,16,19-22,64-65H,5-13,15,17-18,23-63H2,1-4H3/b16-14-,21-19-,22-20-/t65-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:21]\[CH2:23][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:40][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][C:68](=[O:71])[O:74][C@H:65]([CH2:62][O:72][C:66]([CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:33][CH2:31][CH2:29][CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:69])[CH2:63][O:73][C:67]([CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:41][CH2:37][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH:64]([CH3:3])[CH3:4])=[O:70] |
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