Search MNXref
 Feedback

compound 0275612

PropertiesImage
MNX_IDMNXM1193333 Image of MNXM1193333
referenceenvipathM:...fcaef79729c2
formulaC41H58O15
global charge0
mol weight790.9
InChIKeyWPWSWUIWUDFUKW-UHFFFAOYSA-N
InChIInChI=1S/C41H58O15/c1-19-29(43)14-27-26(41(19,49)11-9-28(42)23-12-33(47)50-18-23)7-6-24-13-25(8-10-40(24,27)5)54-34-16-31(45)38(21(3)52-34)56-36-17-32(46)39(22(4)53-36)55-35-15-30(44)37(48)20(2)51-35/h12,19-22,24-27,31-32,34-36,38-39,45-46,49H,6-11,13-18H2,1-5H3
SMILESCC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(=O)C(C)C6(O)CCC(=O)C5=CC(=O)OC5)C4)OC3C)OC2C)CC(=O)C1=O
MNX internals
InChI (mnx)InChI=1/C41H58O15/c1-19-29(43)14-27-26(41(19,49)11-9-28(42)23-12-33(47)50-18-23)7-6-24-13-25(8-10-40(24,27)5)54-34-16-31(45)38(21(3)52-34)56-36-17-32(46)39(22(4)53-36)55-35-15-30(44)37(48)20(2)51-35/h12,19-22,24-27,31-32,34-36,38-39,45-46,49H,6-11,13-18H2,1-5H3/t19?,20?,21?,22?,24?,25?,26?,27?,31?,32?,34?,35?,36?,38?,39?,40?,41? Image of MNXM1193333
SMILES (mnx)[CH3:1][CH:19]1[C:29](=[O:43])[CH2:14][CH:27]2[CH:26]([CH2:7][CH2:6][CH:24]3[CH2:13][CH:25]([O:54][CH:34]4[CH2:16][CH:31]([OH:45])[CH:38]([O:56][CH:36]5[CH2:17][CH:32]([OH:46])[CH:39]([O:55][CH:35]6[CH2:15][C:30](=[O:44])[C:37](=[O:48])[CH:20]([CH3:2])[O:51]6)[CH:22]([CH3:4])[O:53]5)[CH:21]([CH3:3])[O:52]4)[CH2:8][CH2:10][C:40]32[CH3:5])[C:41]1([CH2:11][CH2:9][C:28]([C:23]1=[CH:12][C:33](=[O:47])[O:50][CH2:18]1)=[O:42])[OH:49]
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:...fcaef79729c2
envipathM:...fcaef79729c2
WPWSWUIWUDFUKW-UHFFFAOYSA-N
compound 0275612