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CHEBI:73245 - cucurbitane

ChEBI IDCHEBI:73245
ChEBI Namecucurbitane
Stars
DefinitionA triterpene that is an isomer of lanostane obtained by migration of the methyl group from 10 to the 9β position.
Last Modified17 January 2018
Submitternamrata
DownloadsMolfile
FormulaC30H54
Net Charge0
Average Mass414.762
Monoisotopic Mass414.42255
SMILES[H][C@@]12CCC3C(C)(C)CCC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@@]2(C)CC[C@]1([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-ZVBSCDOUSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
cucurbitane (CHEBI:73245) is a triterpene (CHEBI:35191)
Incoming Relation(s)
11-oxocucurbitadienol (CHEBI:138973) has parent hydride cucurbitane (CHEBI:73245)
11α-hydroxycucurbitadienol (CHEBI:138972) has parent hydride cucurbitane (CHEBI:73245)
7-oxo-10α-cucurbitadienol (CHEBI:66838) has parent hydride cucurbitane (CHEBI:73245)
cucurbitacin (CHEBI:16219) has parent hydride cucurbitane (CHEBI:73245)
cucurbitadienol (CHEBI:62456) has parent hydride cucurbitane (CHEBI:73245)
mogroside (CHEBI:139477) has parent hydride cucurbitane (CHEBI:73245)
5α-cucurbitane (CHEBI:73247) is a cucurbitane (CHEBI:73245)
5β-cucurbitane (CHEBI:73249) is a cucurbitane (CHEBI:73245)
IUPAC Name 
(4R,9β)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholestane
Manual XrefsDatabases
CucurbitaneWikipedia