CHEBI:73247 - 5α-cucurbitane

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ChEBI Name 5α-cucurbitane
ChEBI ID CHEBI:73247
ChEBI ASCII Name 5alpha-cucurbitane
Definition The 5α-stereoisomer of cucurbitane.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H54
Net Charge 0
Average Mass 414.74980
Monoisotopic Mass 414.42255
InChI InChI=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
InChIKey ZYZJWAJOTPNVPI-AUAIAXQGSA-N
SMILES [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@@]([H])(CCCC4(C)C)[C@]3(C)CC[C@]12C)[C@H](C)CCCC(C)C
ChEBI Ontology
Outgoing 5α-cucurbitane (CHEBI:73247) is a cucurbitane (CHEBI:73245)
IUPAC Name
(4R,5R,9β)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholestane
Last Modified
19 April 2013