| Properties | Image |
MNX_ID | MNXM214055 |
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reference | slm:000246106 |
formula | C64H118O6 |
global charge | 0 |
mol weight | 983.642 |
InChIKey | FDKRRLXVWVFKKD-ABANQLEZSA-N |
InChI | InChI=1S/C64H118O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-39-43-47-51-55-62(65)68-58-61(59-69-63(66)56-52-48-44-41-37-38-42-46-50-54-60(3)4)70-64(67)57-53-49-45-40-36-34-32-29-22-20-18-16-14-12-10-8-6-2/h14,16,20,22,32,34,60-61H,5-13,15,17-19,21,23-31,33,35-59H2,1-4H3/b16-14-,22-20-,34-32-/t61-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C64H118O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-39-43-47-51-55-62(65)68-58-61(59-69-63(66)56-52-48-44-41-37-38-42-46-50-54-60(3)4)70-64(67)57-53-49-45-40-36-34-32-29-22-20-18-16-14-12-10-8-6-2/h14,16,20,22,32,34,60-61H,5-13,15,17-19,21,23-31,33,35-59H2,1-4H3/b16-14-,22-20-,34-32-/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][CH2:19][CH2:21][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][C:62](=[O:65])[O:68][CH2:58][C@@H:61]([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])[O:70][C:64]([CH2:57][CH2:53][CH2:49][CH2:45][CH2:40][CH2:36]/[CH:34]=[CH:32]\[CH2:29]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:67] |
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