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compound 0147400

PropertiesImage
MNX_IDMNXM1188063 Image of MNXM1188063
referenceenvipathM:...63e69b86b3d6
formulaC54H90O11
global charge0
mol weight915.303
InChIKeyFFIONUNSSPXKCV-UHFFFAOYSA-N
InChIInChI=1S/C54H90O11/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-34-45(56)54(59)62-43(42-61-52(58)39-32-26-21-24-30-37-48-53(65-48)44(55)33-27-11-8-5-2)41-60-51(57)38-31-25-20-23-29-36-47-50(64-47)40-49-46(63-49)35-9-6-3/h12-13,27,33,43,46-50,53H,4-11,14-26,28-32,34-42H2,1-3H3
SMILESCCCCC=CCCCCCCCCCC(=O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(=O)C=CCCCC
MNX internals
InChI (mnx)InChI=1/C54H90O11/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-34-45(56)54(59)62-43(42-61-52(58)39-32-26-21-24-30-37-48-53(65-48)44(55)33-27-11-8-5-2)41-60-51(57)38-31-25-20-23-29-36-47-50(64-47)40-49-46(63-49)35-9-6-3/h12-13,27,33,43,46-50,53H,4-11,14-26,28-32,34-42H2,1-3H3/b13-12?,33-27?/t43?,46?,47?,48?,49?,50?,53? Image of MNXM1188063
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:28][CH2:34][C:45]([C:54](=[O:59])[O:62][CH:43]([CH2:41][O:60][C:51]([CH2:38][CH2:31][CH2:25][CH2:20][CH2:23][CH2:29][CH2:36][CH:47]1[CH:50]([CH2:40][CH:49]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:63]2)[O:64]1)=[O:57])[CH2:42][O:61][C:52]([CH2:39][CH2:32][CH2:26][CH2:21][CH2:24][CH2:30][CH2:37][CH:48]1[CH:53]([C:44]([CH:33]=[CH:27][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[O:65]1)=[O:58])=[O:56]
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:...63e69b86b3d6
envipathM:...63e69b86b3d6
FFIONUNSSPXKCV-UHFFFAOYSA-N
compound 0147400