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compound 0206201

PropertiesImage
MNX_IDMNXM1189073 Image of MNXM1189073
referenceenvipathM:...89e2f16d7403
formulaC54H92O11
global charge0
mol weight917.319
InChIKeyYNGUZMLONQDZMV-UHFFFAOYSA-N
InChIInChI=1S/C54H92O11/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-29-38-52(58)61-43(42-60-51(57)37-28-23-22-26-35-47-54-53(65-54)46(64-47)34-24-8-6-4-2)41-59-50(56)36-27-21-18-19-25-32-44-48(62-44)40-49-45(63-49)33-30-31-39-55/h9-10,24,34,43-49,53-55H,3-8,11-23,25-33,35-42H2,1-2H3
SMILESCCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)COC(=O)CCCCCCC1OC(C=CCCCC)C2OC12
MNX internals
InChI (mnx)InChI=1/C54H92O11/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-29-38-52(58)61-43(42-60-51(57)37-28-23-22-26-35-47-54-53(65-54)46(64-47)34-24-8-6-4-2)41-59-50(56)36-27-21-18-19-25-32-44-48(62-44)40-49-45(63-49)33-30-31-39-55/h9-10,24,34,43-49,53-55H,3-8,11-23,25-33,35-42H2,1-2H3/b10-9?,34-24?/t43?,44?,45?,46?,47?,48?,49?,53?,54? Image of MNXM1189073
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:29][CH2:38][C:52](=[O:58])[O:61][CH:43]([CH2:41][O:59][C:50]([CH2:36][CH2:27][CH2:21][CH2:18][CH2:19][CH2:25][CH2:32][CH:44]1[CH:48]([CH2:40][CH:49]2[CH:45]([CH2:33][CH2:30][CH2:31][CH2:39][OH:55])[O:63]2)[O:62]1)=[O:56])[CH2:42][O:60][C:51]([CH2:37][CH2:28][CH2:23][CH2:22][CH2:26][CH2:35][CH:47]1[CH:54]2[CH:53]([CH:46]([CH:34]=[CH:24][CH2:8][CH2:6][CH2:4][CH3:2])[O:64]1)[O:65]2)=[O:57]
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:...89e2f16d7403
envipathM:...89e2f16d7403
YNGUZMLONQDZMV-UHFFFAOYSA-N
compound 0206201