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CHEBI:210778 - 6-Deoxy-16beta-O-acetyl-leucotylin

ChEBI IDCHEBI:210778
ChEBI Name6-Deoxy-16beta-O-acetyl-leucotylin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O3
Net Charge0
Average Mass486.781
Monoisotopic Mass486.40730
SMILESCC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]32C)[C@@]2(C)CC[C@H](C(C)(C)O)[C@H]12
InChIInChI=1S/C32H54O3/c1-20(33)35-22-19-32(9)25(30(7)17-13-21(26(22)30)28(4,5)34)12-11-24-29(6)16-10-15-27(2,3)23(29)14-18-31(24,32)8/h21-26,34H,10-19H2,1-9H3/t21-,22-,23-,24+,25+,26+,29-,30+,31+,32+/m0/s1
InChIKeyCPPZPEWLPMYDEW-CQLJNICCSA-N
Species of MetaboliteComponentSourceComments
Cladosporiumspecies (ncbitaxon:1707700) - PubMed (5967162)
ChEBI Ontology
Outgoing Relation(s)
6-Deoxy-16beta-O-acetyl-leucotylin (CHEBI:210778) is a hopanoid (CHEBI:51963)
IUPAC Name 
[(3S,3aS,4S,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-4-yl] acetate
Manual XrefsDatabases
78437970ChemSpider