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CHEBI:68519 - 17α(H),21β(H)-bishomohopanol

ChEBI IDCHEBI:68519
ChEBI Name17α(H),21β(H)-bishomohopanol
Stars
ASCII Name17alpha(H),21beta(H)-bishomohopanol
DefinitionA pentacyclic triterpenoid that is hopane in which a hydrogen attached to C-29 is replaced by a 2-hydroxyethyl group and in which the stereochemistry at C-17 is inverted to 17αH.
Last Modified26 September 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H56O
Net Charge0
Average Mass456.799
Monoisotopic Mass456.43312
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@]([H])(C(C)CCCO)[C@@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C32H56O/c1-22(10-8-21-33)23-13-18-29(4)24(23)14-19-31(6)26(29)11-12-27-30(5)17-9-16-28(2,3)25(30)15-20-32(27,31)7/h22-27,33H,8-21H2,1-7H3/t22?,23-,24-,25+,26-,27-,29+,30+,31-,32-/m1/s1
InChIKeyPLFFHJWXOGYWPR-FVLDUDOASA-N
ChEBI Ontology
Outgoing Relation(s)
17α(H),21β(H)-bishomohopanol (CHEBI:68519) is a pentacyclic triterpenoid (CHEBI:25872)
17α(H),21β(H)-bishomohopanol (CHEBI:68519) is a primary alcohol (CHEBI:15734)
Synonyms  Source
17α(H),21β(H) bishomohopanolChEBI
17αH,21βH-bishomohopanolChEBI