4-OHE2-1-N7Gua

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Systematic / IUPAC Name: 2-Amino-7-[(17β)-3,4,17-trihydroxyestra-1,3,5(10)-trien-1-yl]-1,7-dihydro-6H-purin-6-one

ID: Reference10240

Other Names: 2-Amino-7-[(17β)-3,4,17-trihydroxyestra-1,3,5(10)-trien-1-yl]-3,7-dihydro-6H-purin-6-one;
2-Amino-7-[(8R,9S,13S,14S,17S)-3,4,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl]-3H-purin-6-one;
4-Hydroxy estradiol 1-N7-guanine;
ROG-UNE-005

Formula: C23H27N5O4

Spectral Data

4-OHE2-1-N7Gua 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 470
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 2/12/2021 2:40:24 PM
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Identificators

InChI InChI=1S/C23H27N5O4/c1-23-7-6-11-10(13(23)4-5-16(23)30)2-3-12-17(11)14(8-15(29)19(12)31)28-9-25-20-18(28)21(32)27-22(24)26-20/h8-11,13,16,29-31H,2-7H2,1H3,(H3,24,26,27,32)/t10-,11+,13+,16+,23+/m1/s1
InChI Key FRKBGPSXUBCIFE-URRUNNDYSA-N
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3c(cc(O)c4O)-[n]3c[n]c4NC(N)=NC(=O)c34)[C@@H]1CC[C@@H]2O
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Other Names 2-Amino-7-[(17β)-3,4,17-trihydroxyestra-1,3,5(10)-trien-1-yl]-3,7-dihydro-6H-purin-6-one;
2-Amino-7-[(8R,9S,13S,14S,17S)-3,4,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl]-3H-purin-6-one;
4-Hydroxy estradiol 1-N7-guanine;
ROG-UNE-005

In Other Databases

PubChem 136242377
ChemSpider 31046568