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

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ChEBI Name 17α(H),21β(H)-bishomohopanol
ChEBI ID CHEBI:68519
ChEBI ASCII Name 17alpha(H),21beta(H)-bishomohopanol
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C32H56O
Net Charge 0
Average Mass 456.78640
Monoisotopic Mass 456.43312
InChI InChI=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
InChIKey PLFFHJWXOGYWPR-FVLDUDOASA-N
SMILES [H][C@@]1(CC[C@@]2(C)[C@]1([H])CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCCC(C)(C)[C@]3([H])CC[C@@]12C)C(C)CCCO
ChEBI Ontology
Outgoing 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 Sources
17α(H),21β(H) bishomohopanol ChEBI
17αH,21βH-bishomohopanol ChEBI
Last Modified
26 September 2012