CHEBI:142820 - andrastin F(1−)

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ChEBI Name andrastin F(1−)
ChEBI ID CHEBI:142820
ChEBI ASCII Name andrastin F(1-)
Definition An enolate anion resulting from the deprotonation of the enol group of andrastin F. Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C26H37O5
Net Charge -1
Average Mass 429.570
Monoisotopic Mass 429.26465
InChI InChI=1S/C26H38O5/c1-14-13-17-23(5)11-10-18(27)22(3,4)16(23)9-12-24(17,6)26(21(30)31-8)20(29)15(2)19(28)25(14,26)7/h13,16-18,27,29H,9-12H2,1-8H3/p-1/t16-,17+,18+,23-,24+,25+,26-/m1/s1
InChIKey UWNMGJYESPODDH-NUPCUBJNSA-M
SMILES C1C[C@@H](C([C@@]2([C@@]1([C@]3([C@](CC2)([C@]4([C@@](C(=C3)C)(C(C(=C4[O-])C)=O)C)C(OC)=O)C)[H])C)[H])(C)C)O
ChEBI Ontology
Outgoing andrastin F(1−) (CHEBI:142820) is a enolate (CHEBI:142839)
andrastin F(1−) (CHEBI:142820) is conjugate base of andrastin F (CHEBI:142878)
Incoming andrastin F (CHEBI:142878) is conjugate acid of andrastin F(1−) (CHEBI:142820)
IUPAC Name
3β-hydroxy-14-(methoxycarbonyl)-4,4,8α,12,16-pentamethyl-17-oxo-5β,9β,10α,13α-androsta-11,15-dien-15-olate
Synonyms Sources
(3β,5β,8α,9β,10α,13α)-3-hydroxy-14-(methoxycarbonyl)-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-dien-15-olate IUPAC
andrastin F UniProt
Last Modified
10 January 2019