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CHEBI:176289 - Erythrodiol 3-palmitate

Default Structure
ChEBI IDCHEBI:176289
ChEBI NameErythrodiol 3-palmitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80O3
Net Charge0
Average Mass681.143
Monoisotopic Mass680.61075
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(CO)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@]21C
InChIInChI=1S/C46H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)49-39-26-27-43(6)37(42(39,4)5)25-28-45(8)38(43)24-23-35-36-33-41(2,3)29-31-46(36,34-47)32-30-44(35,45)7/h23,36-39,47H,9-22,24-34H2,1-8H3/t36-,37-,38+,39-,43-,44+,45+,46+/m0/s1
InChIKeyZOXWEJMCUKRYDD-XCNRMXNJSA-N
ChEBI Ontology
Outgoing Relation(s)
Erythrodiol 3-palmitate (CHEBI:176289) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
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