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compound 0182734

PropertiesImage
MNX_IDMNXM1305019 Image of MNXM1305019
referenceenvipathM:...3392d74bc4a6
formulaC37H64O10
global charge0
mol weight668.909
InChIKeyHCMABORRCWXLES-UHFFFAOYSA-N
InChIInChI=1S/C37H64O10/c1-3-5-7-9-15-21-30-31(45-30)22-16-10-8-11-17-23-35(41)43-25-27(38)26-44-37(42)29(40)19-14-12-13-18-28(39)36-34(47-36)24-33-32(46-33)20-6-4-2/h27,29-34,36,38,40H,3-26H2,1-2H3
SMILESCCCCCCCC1OC1CCCCCCCC(=O)OCC(O)COC(=O)C(O)CCCCCC(=O)C1OC1CC1OC1CCCC
MNX internals
InChI (mnx)InChI=1/C37H64O10/c1-3-5-7-9-15-21-30-31(45-30)22-16-10-8-11-17-23-35(41)43-25-27(38)26-44-37(42)29(40)19-14-12-13-18-28(39)36-34(47-36)24-33-32(46-33)20-6-4-2/h27,29-34,36,38,40H,3-26H2,1-2H3/t27?,29?,30?,31?,32?,33?,34?,36? Image of MNXM1305019
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:15][CH2:21][CH:30]1[CH:31]([CH2:22][CH2:16][CH2:10][CH2:8][CH2:11][CH2:17][CH2:23][C:35](=[O:41])[O:43][CH2:25][CH:27]([CH2:26][O:44][C:37]([CH:29]([CH2:19][CH2:14][CH2:12][CH2:13][CH2:18][C:28]([CH:36]2[CH:34]([CH2:24][CH:33]3[CH:32]([CH2:20][CH2:6][CH2:4][CH3:2])[O:46]3)[O:47]2)=[O:39])[OH:40])=[O:42])[OH:38])[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:...3392d74bc4a6
envipathM:...3392d74bc4a6
HCMABORRCWXLES-UHFFFAOYSA-N
compound 0182734