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CHEBI:59367 - scalarane

ChEBI IDCHEBI:59367
ChEBI Namescalarane
Stars
DefinitionA hypothetical sesterterpene skeleton with a structure based on that of a pentamethyl-D-homoandrostane and the basis for the family of scalarane sesterterpenoids.
Last Modified29 October 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H44
Net Charge0
Average Mass344.627
Monoisotopic Mass344.34430
SMILESCC1CCC2[C@]3(C)CCC4C(C)(C)CCC[C@]4(C)C3CC[C@]2(C)C1C
InChIInChI=1S/C25H44/c1-17-9-10-20-23(5,18(17)2)15-12-21-24(6)14-8-13-22(3,4)19(24)11-16-25(20,21)7/h17-21H,8-16H2,1-7H3/t17?,18?,19?,20?,21?,23-,24+,25+/m1/s1
InChIKeyGVFFAMRIFGYUEO-NWZCTALXSA-N
ChEBI Ontology
Outgoing Relation(s)
scalarane (CHEBI:59367) is a sesterterpene (CHEBI:35192)
IUPAC Name 
4,4,8,17,17a-pentamethyl-17a-homoandrostane