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compound 0112898

PropertiesImage
MNX_IDMNXM1178150 Image of MNXM1178150
referenceenvipathM:...b76faa185c90
formulaC37H66O9
global charge0
mol weight654.926
InChIKeyBCIFRHSCRSPVOR-UHFFFAOYSA-N
InChIInChI=1S/C37H66O9/c1-3-5-19-32-34(45-32)25-35-33(46-35)21-13-9-7-11-15-24-37(41)43-27-29(39)26-42-36(40)23-14-10-6-8-12-20-30-31(44-30)22-16-18-28(38)17-4-2/h28-35,38-39H,3-27H2,1-2H3
SMILESCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC1OC1CCCC(O)CCC
MNX internals
InChI (mnx)InChI=1/C37H66O9/c1-3-5-19-32-34(45-32)25-35-33(46-35)21-13-9-7-11-15-24-37(41)43-27-29(39)26-42-36(40)23-14-10-6-8-12-20-30-31(44-30)22-16-18-28(38)17-4-2/h28-35,38-39H,3-27H2,1-2H3/t28?,29?,30?,31?,32?,33?,34?,35? Image of MNXM1178150
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:19][CH:32]1[CH:34]([CH2:25][CH:35]2[CH:33]([CH2:21][CH2:13][CH2:9][CH2:7][CH2:11][CH2:15][CH2:24][C:37](=[O:41])[O:43][CH2:27][CH:29]([CH2:26][O:42][C:36]([CH2:23][CH2:14][CH2:10][CH2:6][CH2:8][CH2:12][CH2:20][CH:30]3[CH:31]([CH2:22][CH2:16][CH2:18][CH:28]([CH2:17][CH2:4][CH3:2])[OH:38])[O:44]3)=[O:40])[OH:39])[O:46]2)[O:45]1
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:...b76faa185c90
envipathM:...b76faa185c90
BCIFRHSCRSPVOR-UHFFFAOYSA-N
compound 0112898