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CHEBI:215739 - Terreusterpene C

ChEBI IDCHEBI:215739
ChEBI NameTerreusterpene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O9
Net Charge0
Average Mass492.565
Monoisotopic Mass492.23593
SMILESC=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H]2C(=O)OC(O)([C@](C)(O)C(=O)OC)[C@]12C
InChIInChI=1S/C26H36O9/c1-12-11-13-22(4)10-9-14(27)21(2,3)16(22)15(28)18(29)23(13,5)17-19(30)35-26(33,24(12,17)6)25(7,32)20(31)34-8/h13,16-18,29,32-33H,1,9-11H2,2-8H3/t13-,16+,17-,18+,22-,23-,24+,25+,26?/m0/s1
InChIKeyRNHOYPKKIMFLPG-HBYVPZLSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (30430177)
ChEBI Ontology
Outgoing Relation(s)
Terreusterpene C (CHEBI:215739) is a steroid lactone (CHEBI:26766)
IUPAC Name 
methyl (2S)-2-[(3aS,3bS,4S,5aS,9aS,9bS,11aS)-1,4-dihydroxy-3b,6,6,9a,11a-pentamethyl-11-methylidene-3,5,7-trioxo-4,5a,8,9,9b,10-hexahydro-3aH-naphtho[2,1-e][2]benzouran-1-yl]-2-hydroxypropanoate