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CHEBI:73249 - 5β-cucurbitane

ChEBI IDCHEBI:73249
ChEBI Name5β-cucurbitane
Stars
ASCII Name5beta-cucurbitane
DefinitionThe 5β-stereoisomer of cucurbitane.
Last Modified19 April 2013
Submitternamrata
DownloadsMolfile
FormulaC30H54
Net Charge0
Average Mass414.762
Monoisotopic Mass414.42255
SMILES[H][C@@]12CCCC(C)(C)[C@@]1([H])CC[C@]1([H])[C@@]2(C)CC[C@@]2(C)[C@@]1(C)CC[C@]2([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C30H54/c1-21(2)11-9-12-22(3)23-16-18-30(8)26-15-14-24-25(13-10-17-27(24,4)5)28(26,6)19-20-29(23,30)7/h21-26H,9-20H2,1-8H3/t22-,23-,24+,25-,26-,28+,29-,30+/m1/s1
InChIKeyZYZJWAJOTPNVPI-QJMYWHNVSA-N
ChEBI Ontology
Outgoing Relation(s)
5β-cucurbitane (CHEBI:73249) is a cucurbitane (CHEBI:73245)
IUPAC Name 
(4R,5S,9β)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholestane