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CHEBI:211877 - (22R)-(17bH,21bH)-bis-Homohopan-32-ol acetate

ChEBI IDCHEBI:211877
ChEBI Name(22R)-(17bH,21bH)-bis-Homohopan-32-ol acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H58O2
Net Charge0
Average Mass498.836
Monoisotopic Mass498.44368
SMILESCC(=O)OCCC[C@@H](C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C34H58O2/c1-23(11-9-22-36-24(2)35)25-14-19-31(5)26(25)15-20-33(7)28(31)12-13-29-32(6)18-10-17-30(3,4)27(32)16-21-34(29,33)8/h23,25-29H,9-22H2,1-8H3/t23-,25-,26+,27+,28-,29-,31+,32+,33-,34-/m1/s1
InChIKeyYHXLYBAPAPGTCA-DSFAHIJBSA-N
Species of MetaboliteComponentSourceComments
Frankiaspecies (ncbitaxon:1855) - PubMed (11488925)
ChEBI Ontology
Outgoing Relation(s)
(22R)-(17bH,21bH)-bis-Homohopan-32-ol acetate (CHEBI:211877) is a hopanoid (CHEBI:51963)
IUPAC Name 
[(4R)-4-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-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-3-yl]pentyl] acetate
Manual XrefsDatabases
78437990ChemSpider