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2,22-Dideoxy-3-dehydroecdysone

Properties

Image

Occurences in reactions

MNX_ID

MNXM6664

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₇H₄₂O₄

charge

mass

430.30831

reference

chebi:80533

InChIKey

ADJIOBLYKGQIDH-NOVLVJNXSA-N

InChI

InChI=1S/C27H42O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-17,19-20,22,30-31H,6-15H2,1-5H3/t17-,19-,20+,22+,25-,26-,27-/m1/s1

SMILES

C[C@H](CCCC(C)(C)O)[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:80533 chebi:80533 kegg.compound:C16498 keggC:C16498	2,22-Dideoxy-3-dehydroecdysone
seed.compound:cpd16286 seedM:cpd16286	2,22-Dideoxy-3-dehydroecdysone 3-dehydro-2,22-deoxyecdysone 3-dehydro-2,22-dideoxyecdysone
metacyc.compound:CPD-15505 metacycM:CPD-15505	3-dehydro-2,22-dideoxyecdysone 3-dehydro-2,22-deoxyecdysone
keggC:M_C16498 seedM:M_cpd16286	secondary/obsolete/fantasy identifier