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2,22-dideoxyecdysone

Properties

Image

Occurences in reactions

MNX_ID

MNXM6852

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

formula

C₂₇H₄₄O₄

charge

mass

432.32396

reference

chebi:80530

InChIKey

CRCTVUFFBCIURJ-DJHAZVFJSA-N

InChI

InChI=1S/C27H44O4/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/h16-20,22,28,30-31H,6-15H2,1-5H3/t17-,18+,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]4C[C@@H](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:80530 chebi:80530	2,22-dideoxyecdysone 2,22-Dideoxyecdysone 3beta,5beta-Ketotriol
seed.compound:cpd16282 seedM:cpd16282	2,22-Dideoxyecdysone 2,22-deoxyecdysone 2,22-dideoxyecdysone 3beta,5beta-Ketotriol 3beta,5beta-ketotriol 5beta-ketotriol
metacyc.compound:CPD-15498 metacycM:CPD-15498	2,22-dideoxyecdysone 2,22-deoxyecdysone 3beta,5beta-ketotriol 5beta-ketotriol
kegg.compound:C16494 keggC:C16494	3beta,5beta-Ketotriol 2,22-Dideoxyecdysone
keggC:M_C16494 seedM:M_cpd16282	secondary/obsolete/fantasy identifier