3-(2,8,13,14,17,18-Hexahydroxytriacontyl)-5-methyl-2(5H)-furanone

Properties Image MNX_ID MNXM125103 reference chebi:177634 formula C35H66O8 global charge 0 mol weight 614.905 InChIKey IRCFRVYGUCFTPA-UHFFFAOYSA-N InChI InChI=1S/C35H66O8/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33(40)23-24-34(41)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)43-35(28)42/h25,27,29-34,36-41H,3-24,26H2,1-2H3 SMILES CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O MNX internals InChI (mnx) InChI=1/C35H66O8/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33(40)23-24-34(41)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)43-35(28)42/h25,27,29-34,36-41H,3-24,26H2,1-2H3/t27?,29?,30?,31?,32?,33?,34? SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:15][CH2:21][CH:31]([CH:33]([CH2:23][CH2:24][CH:34]([CH:32]([CH2:22][CH2:17][CH2:16][CH2:19][CH:29]([CH2:18][CH2:13][CH2:12][CH2:14][CH2:20][CH:30]([CH2:26][C:28]1=[CH:25][CH:27]([CH3:2])[O:43][C:35]1=[O:42])[OH:37])[OH:36])[OH:39])[OH:41])[OH:40])[OH:38]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0