2-OHE1-6-N3Ade

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Systematic / IUPAC Name: (8R,9S,13S,14S)-2,3-Dihydroxy-6-(6-imino-7H-purin-3-yl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

ID: Reference10238

Other Names: 6-(6-Amino-3H-purin-3-yl)-2,3-dihydroxyestra-1(10),2,4-trien-17-one;
ROG-UNE-002

Formula: C23H25N5O3

Spectral Data

2-OHE1-6-N3Ade mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion
No. of Spectral Trees 1
No. of Spectra 912
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 2/12/2021 2:12:55 PM
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Identificators

InChI InChI=1S/C23H25N5O3/c1-23-5-4-11-12-7-17(29)18(30)8-14(12)16(6-13(11)15(23)2-3-19(23)31)28-10-27-21(24)20-22(28)26-9-25-20/h7-11,13,15-16,29-30H,2-6,24H2,1H3/t11-,13-,15+,16?,23+/m1/s1
InChI Key ILMIYAFNYQGIRH-RIGYJOQTSA-N
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CC(c4cc(O)c(O)cc43)[n]3c[n]c(N)c4[n]c[n]c34)[C@@H]1CCC2=O
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Other Names 6-(6-Amino-3H-purin-3-yl)-2,3-dihydroxyestra-1(10),2,4-trien-17-one;
ROG-UNE-002

In Other Databases

ChemSpider 48063778
PubChem 137245223