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compound 0114955

PropertiesImage
MNX_IDMNXM1190590 Image of MNXM1190590
referenceenvipathM:...9ed0342a6a97
formulaC37H66O7
global charge0
mol weight622.928
InChIKeyLWNGNURVYVLIJD-UHFFFAOYSA-N
InChIInChI=1S/C37H66O7/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-25-29-36(40)43-32(30-38)31-42-37(41)33(39)26-22-20-21-24-28-35-34(44-35)27-23-18-8-6-4-2/h12-13,18,23,32-35,38-39H,3-11,14-17,19-22,24-31H2,1-2H3
SMILESCCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C37H66O7/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-25-29-36(40)43-32(30-38)31-42-37(41)33(39)26-22-20-21-24-28-35-34(44-35)27-23-18-8-6-4-2/h12-13,18,23,32-35,38-39H,3-11,14-17,19-22,24-31H2,1-2H3/b13-12?,23-18?/t32?,33?,34?,35? Image of MNXM1190590
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:25][CH2:29][C:36](=[O:40])[O:43][CH:32]([CH2:30][OH:38])[CH2:31][O:42][C:37]([CH:33]([CH2:26][CH2:22][CH2:20][CH2:21][CH2:24][CH2:28][CH:35]1[CH:34]([CH2:27][CH:23]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[O:44]1)[OH:39])=[O:41]
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:...9ed0342a6a97
envipathM:...9ed0342a6a97
LWNGNURVYVLIJD-UHFFFAOYSA-N
compound 0114955