input word = C00003654

Metabolite InformationStructural formula
Name 20-Hydroxyecdysone
Ecdysterone
beta-Ecdysterone
Formula C27H44O7
Mw 480.30870376
CAS RN 5289-74-7
C_ID C00003654 ,
InChIKey NKDFYOWSKOHCCO-JAPDTCKENA-N
InChICode InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
SMILES [C@H]1([C@@H](C[C@@H]2[C@](C1)([C@@H]1C(=CC2=O)[C@]2([C@](CC1)([C@H](CC2)[C@]([C@@H](CCC(C)(C)O)O)(O)C)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes aspera Ref.
PlantaeAmaranthaceaeAchyranthes bidentata Ref.
PlantaeAmaranthaceaeGomphrena celosioides Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
PlantaeAsteraceaeSerratula inermis Ref.
PlantaeCaryophyllaceaeSilene scabrifolia Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeLabiataeAjuga turkestanica Ref.
PlantaeLomariopsidaceaeBolbitis subcordata Ref.
PlantaeMenispermaceaeDiploclisia glaucescens Ref.
PlantaePolypodiaceaePolypodium virginianum Ref.
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
--Jasus lalandei Ref.
--Plenasium banksiaefolium Ref.
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OrganismJasus lalandei
ReferenceAldrich Library of 13C and 1H FT NMR Spectra,3,(1992),574C