mzCloud – Ecdysterone

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Systematic / IUPAC Name: (2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one

ID: Reference7794

Other Names: β-Ecdysone;
β-Ecdysterone;
20-OH Ecdysone;
b-Ecdysone;
Commisterone ; more

Formula: C₂₇H₄₄O₇

Ecdysterone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Used Instruments	Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees	1
No. of Spectra	162
Tandem Spectra	MS¹, MS²
Ionization Methods	NSI
Analyzers	FT
Last Modification	4/17/2018 11:00:05 AM

InChI	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
InChI Key	NKDFYOWSKOHCCO-YPVLXUMRSA-N
Canonical SMILES	CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O
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Other Names	β-Ecdysone; β-Ecdysterone; 20-OH Ecdysone; b-Ecdysone; Commisterone; Crustecdyson; Crustecdysone; Ecdysteron; Isoinokosterone; Polypodine A; Viticosterone; (2β,3β,5β)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-Trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-Trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; (22R)-2β,3β,14α,20,22,25-Hexahydroxy-5β-cholest-7-en-6-one; 2β,3β,14α,20β,22,25-Hexahydroxy-7-cholesten-6-one; 2,3,14-Trihydroxy-10,13-dimethyl-17-(1,2,5-trihydroxy-1,5-dimethyl-hexyl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one; 20-Hydroxyecdysone; Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2b,3b,5b,22R)-; Hydroxyecdysone