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compound 0112518

PropertiesImage
MNX_IDMNXM1191899 Image of MNXM1191899
referenceenvipathM:...5f95aeba8c68
formulaC54H94O10
global charge0
mol weight903.336
InChIKeyUZARWKNQCGQZSB-UHFFFAOYSA-N
InChIInChI=1S/C54H94O10/c1-4-7-10-12-13-14-15-16-17-18-19-20-26-34-41-54(59)62-45(44-61-53(58)40-33-28-22-25-31-38-49-48(63-49)37-30-23-11-8-5-2)43-60-52(57)39-32-27-21-24-29-35-46(55)47(56)42-51-50(64-51)36-9-6-3/h12-13,15-16,45,47-51,56H,4-11,14,17-44H2,1-3H3
SMILESCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1CCCCCCC
MNX internals
InChI (mnx)InChI=1/C54H94O10/c1-4-7-10-12-13-14-15-16-17-18-19-20-26-34-41-54(59)62-45(44-61-53(58)40-33-28-22-25-31-38-49-48(63-49)37-30-23-11-8-5-2)43-60-52(57)39-32-27-21-24-29-35-46(55)47(56)42-51-50(64-51)36-9-6-3/h12-13,15-16,45,47-51,56H,4-11,14,17-44H2,1-3H3/b13-12?,16-15?/t45?,47?,48?,49?,50?,51? Image of MNXM1191899
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:26][CH2:34][CH2:41][C:54](=[O:59])[O:62][CH:45]([CH2:43][O:60][C:52]([CH2:39][CH2:32][CH2:27][CH2:21][CH2:24][CH2:29][CH2:35][C:46]([CH:47]([CH2:42][CH:51]1[CH:50]([CH2:36][CH2:9][CH2:6][CH3:3])[O:64]1)[OH:56])=[O:55])=[O:57])[CH2:44][O:61][C:53]([CH2:40][CH2:33][CH2:28][CH2:22][CH2:25][CH2:31][CH2:38][CH:49]1[CH:48]([CH2:37][CH2:30][CH2:23][CH2:11][CH2:8][CH2:5][CH3:2])[O:63]1)=[O:58]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...5f95aeba8c68
envipathM:...5f95aeba8c68
UZARWKNQCGQZSB-UHFFFAOYSA-N
compound 0112518