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14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione

Properties

Image

Occurences in reactions

MNX_ID

MNXM5425

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₇H₄₂O₃

charge

mass

414.3134

reference

chebi:80541

InChIKey

AJPPBYXIXOLGAV-QHKDMNIJSA-N

InChI

InChI=1S/C27H42O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-18,20-21,23,30H,6-15H2,1-5H3/t18-,20-,21+,23+,25-,26-,27-/m1/s1

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80541 chebi:80541 kegg.compound:C16509 keggC:C16509	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione Diketol
metacyc.compound:CPD-15500 metacycM:CPD-15500	3-dehydro-2,22,25-deoxyecdysone 3-dehydro-2,22,25-trideoxyecdysone 5beta-diketol
seed.compound:cpd16297 seedM:cpd16297	Diketol 14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione 3-dehydro-2,22,25-deoxyecdysone 3-dehydro-2,22,25-trideoxyecdysone 5beta-diketol
keggC:M_C16509 seedM:M_cpd16297	secondary/obsolete/fantasy identifier