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CHEBI:178589 - Schidigeragenin C

Default Structure
ChEBI IDCHEBI:178589
ChEBI NameSchidigeragenin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CCC(=C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)C[C@H](O)[C@H](O)C2
InChIInChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18+,19-,20-,21+,22-,23-,24-,25-,26-,27+/m0/s1
InChIKeyVCEIEQKXIVAQBX-CWAXGAABSA-N
ChEBI Ontology
Outgoing Relation(s)
Schidigeragenin C (CHEBI:178589) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,2S,4S,6R,7S,8R,9S,12S,13S,15S,16R,18R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol
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