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CHEBI:199235 - Methyl 24-methylene-3-oxolanost-8-en-26-oic ester

Default Structure
ChEBI IDCHEBI:199235
ChEBI NameMethyl 24-methylene-3-oxolanost-8-en-26-oic ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O3
Net Charge0
Average Mass482.749
Monoisotopic Mass482.37600
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3)C(C)C(=O)OC
InChIInChI=1S/C32H50O3/c1-20(22(3)28(34)35-9)10-11-21(2)23-14-18-32(8)25-12-13-26-29(4,5)27(33)16-17-30(26,6)24(25)15-19-31(23,32)7/h21-23,26H,1,10-19H2,2-9H3/t21-,22?,23-,26?,30-,31-,32+/m1/s1
InChIKeyNUJASHMFYJQEAM-OKWQZZSXSA-N
Species of MetaboliteComponentSourceComments
Rhodofomes cajanderi (ncbitaxon:2066993) - PubMed (16835094)
ChEBI Ontology
Outgoing Relation(s)
Methyl 24-methylene-3-oxolanost-8-en-26-oic ester (CHEBI:199235) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (6R)-2-methyl-3-methylidene-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate
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78436478ChemSpider