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CHEBI:227148 - (22S,24E)-3alpha,22-diacetoxy-7-oxolanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:227148
ChEBI Name(22S,24E)-3alpha,22-diacetoxy-7-oxolanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O7
Net Charge0
Average Mass570.767
Monoisotopic Mass570.35565
SMILESCC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C34H50O7/c1-19(30(38)39)10-11-26(40-21(3)35)20(2)23-12-17-34(9)29-24(13-16-33(23,34)8)32(7)15-14-28(41-22(4)36)31(5,6)27(32)18-25(29)37/h10,20,23,26-28H,11-18H2,1-9H3,(H,38,39)/b19-10+/t20-,23+,26-,27-,28+,32+,33+,34-/m0/s1
InChIKeyFPSBBGUSAFEFFR-MVRGKCHRSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies BCC 16642 (ncbitaxon:1658744) - PubMed (26716912)
ChEBI Ontology
Outgoing Relation(s)
(22S,24E)-3alpha,22-diacetoxy-7-oxolanosta-8,24-dien-26-oic acid (CHEBI:227148) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-6-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
58914771ChemSpider