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CHEBI:222365 - Scytoscalarol

ChEBI IDCHEBI:222365
ChEBI NameScytoscalarol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H45N3O
Net Charge0
Average Mass415.666
Monoisotopic Mass415.35626
SMILESC=C1CC[C@H]2[C@@](C)(CC[C@@H]3[C@]2(C)CC[C@@H]2C(C)(C)CC[C@H](O)[C@]23C)[C@@H]1CN=C(N)N
InChIInChI=1S/C26H45N3O/c1-16-7-8-19-24(4,17(16)15-29-22(27)28)13-10-20-25(19,5)14-9-18-23(2,3)12-11-21(30)26(18,20)6/h17-21,30H,1,7-15H2,2-6H3,(H4,27,28,29)/t17-,18-,19+,20-,21+,24+,25-,26-/m1/s1
InChIKeyYFYZOMDKMZGTIY-XBPNYNHFSA-N
Species of MetaboliteComponentSourceComments
Scytonema (ncbitaxon:1203) - PubMed (19888742)
ChEBI Ontology
Outgoing Relation(s)
Scytoscalarol (CHEBI:222365) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
2-[[(1R,4aR,4bR,6aR,10S,10aR,10bR,12aR)-10-hydroxy-4b,7,7,10a,12a-pentamethyl-2-methylidene-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-1-yl]methyl]guanidine
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78437701ChemSpider