CHEBI:73301 - tirucallane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tirucallane
ChEBI ID CHEBI:73301
Definition A triterpene that is (13α,14β,17α,20S)-lanostane.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H54
Net Charge 0
Average Mass 414.74980
Monoisotopic Mass 414.42255
InChI InChI=1S/C30H54/c1-21(2)11-9-12-22(3)23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7/h21-26H,9-20H2,1-8H3/t22-,23-,24-,25+,26-,28+,29-,30+/m0/s1
InChIKey ZQIOPEXWVBIZAV-RSKDDJKESA-N
SMILES [H][C@]1(CC[C@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@@H](C)CCCC(C)C
ChEBI Ontology
Outgoing tirucallane (CHEBI:73301) is a triterpene (CHEBI:35191)
Incoming tirucallane triterpenoid (CHEBI:83211) has parent hydride tirucallane (CHEBI:73301)
IUPAC Name
(13α,14β,17α,20S)-lanostane
Synonym Source
tirucallane ChEBI
Last Modified
01 October 2014