CHEBI:176889 - B-sitosterol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name B-sitosterol
ChEBI ID CHEBI:176889
Stars This entity has been manually annotated by a third party.
Submitter Anonymous
Supplier Information
Download Molfile XML SDF
Formula C29H50O
Net Charge 0
Average Mass 414.718
Monoisotopic Mass 414.38617
InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21?,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey KZJWDPNRJALLNS-OAIXMFQVSA-N
SMILES O([C@@]1(C(C=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](C(C4([H])[H])([H])[H])([C@@](C(C([C@](C(C([H])([H])[H])(C([H])([H])[H])[H])(C(C([H])([H])[H])([H])[H])[H])([H])[H])([H])[H])(C([H])([H])[H])[H])[H])(C(C3([H])[H])([H])[H])C([H])([H])[H])[H])(C(C2[H])([H])[H])[H])[H])(C(C1([H])[H])([H])[H])C([H])([H])[H])([H])[H])[H])[H]
ChEBI Ontology
Outgoing B-sitosterol (CHEBI:176889) is a organic molecular entity (CHEBI:50860)