| Properties | Image |
MNX_ID | MNXM212971 |
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reference | slm:000247787 |
formula | C64H120O6 |
global charge | 0 |
mol weight | 985.658 |
InChIKey | APSPHZGVOHDJHK-TZHYLFMGSA-N |
InChI | InChI=1S/C64H120O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-40-45-49-53-57-64(67)70-61(59-69-63(66)56-52-48-44-41-37-38-42-46-50-54-60(3)4)58-68-62(65)55-51-47-43-39-35-33-31-29-22-20-18-16-14-12-10-8-6-2/h19-22,60-61H,5-18,23-59H2,1-4H3/b21-19-,22-20-/t61-/m0/s1 |
SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C64H120O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-40-45-49-53-57-64(67)70-61(59-69-63(66)56-52-48-44-41-37-38-42-46-50-54-60(3)4)58-68-62(65)55-51-47-43-39-35-33-31-29-22-20-18-16-14-12-10-8-6-2/h19-22,60-61H,5-18,23-59H2,1-4H3/b21-19-,22-20-/t61-/m0/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][CH2:24][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][C:64](=[O:67])[O:70][C@@H:61]([CH2:58][O:68][C:62]([CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:65])[CH2:59][O:69][C:63]([CH2:56][CH2:52][CH2:48][CH2:44][CH2:41][CH2:37][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH:60]([CH3:3])[CH3:4])=[O:66] |
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