4-OHE2-1-N3Ade

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Systematic / IUPAC Name: (17β)-1-(6-Amino-3H-purin-3-yl)estra-1(10),2,4-triene-3,4,17-triol

ID: Reference10248

Other Names: ROG-UNE-003;
Estra-1(10),2,4-triene-3,4,17-triol, 1-(6-amino-3H-purin-3-yl)-, (17β)-

Formula: C23H27N5O3

Spectral Data

4-OHE2-1-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 1104
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 2/18/2021 2:30:32 PM
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Identificators

InChI InChI=1S/C23H27N5O3/c1-23-7-6-12-11(14(23)4-5-17(23)30)2-3-13-18(12)15(8-16(29)20(13)31)28-10-27-21(24)19-22(28)26-9-25-19/h8-12,14,17,29-31H,2-7,24H2,1H3/t11-,12+,14+,17+,23+/m1/s1
InChI Key LWOXXVDIEGNZNP-GXPADDFNSA-N
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3c(cc(O)c4O)-[n]3c[n]c(N)c4[n]c[n]c34)[C@@H]1CC[C@@H]2O
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Other Names ROG-UNE-003;
Estra-1(10),2,4-triene-3,4,17-triol, 1-(6-amino-3H-purin-3-yl)-, (17β)-

In Other Databases

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