EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201099 - 22xi-acetoxy-3beta,23xi-dihydroxy-24(28)Z-ethylidenelanost-8-ene

ChEBI IDCHEBI:201099
ChEBI Name22xi-acetoxy-3beta,23xi-dihydroxy-24(28)Z-ethylidenelanost-8-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56O4
Net Charge0
Average Mass528.818
Monoisotopic Mass528.41786
SMILESC/C=C(\C(C)C)[C@@H](O)[C@@H](OC(C)=O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C34H56O4/c1-11-23(20(2)3)29(37)30(38-22(5)35)21(4)24-14-18-34(10)26-12-13-27-31(6,7)28(36)16-17-32(27,8)25(26)15-19-33(24,34)9/h11,20-21,24,27-30,36-37H,12-19H2,1-10H3/b23-11+/t21-,24+,27-,28-,29+,30-,32+,33+,34-/m0/s1
InChIKeySXYWLRGQHFDETK-RQGMQQJQSA-N
Species of MetaboliteComponentSourceComments
Pisolithus tinctorius (ncbitaxon:37468) - DOI (10.1016/s0040-4039(00)98844-0)
ChEBI Ontology
Outgoing Relation(s)
22xi-acetoxy-3beta,23xi-dihydroxy-24(28)Z-ethylidenelanost-8-ene (CHEBI:201099) has parent hydride stigmastane (CHEBI:26773)
22xi-acetoxy-3beta,23xi-dihydroxy-24(28)Z-ethylidenelanost-8-ene (CHEBI:201099) is a steroid (CHEBI:35341)
IUPAC Name 
[(E,2S,3S,4R)-4-hydroxy-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-propan-2-ylhept-5-en-3-yl] acetate
Manual XrefsDatabases
78440098ChemSpider