CHEBI:178589 - Schidigeragenin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Schidigeragenin C
ChEBI ID CHEBI:178589
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O4
Net Charge 0
Average Mass 430.629
Monoisotopic Mass 430.30831
InChI InChI=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
InChIKey VCEIEQKXIVAQBX-CWAXGAABSA-N
SMILES O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@](CC4)(C[C@@H](O)[C@@H](O)C5)[H])C)(CC3)[H])[H])(C2)[H])C)([C@@H]([C@]16OCC(CC6)=C)C)[H])[H]
ChEBI Ontology
Outgoing 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
Manual Xref Database
8916633 ChemSpider
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