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_id
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9VN29hox9Jo
spectrumID
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9VN29hox9Jo
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13C NMR
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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2-METHOXYESTRADIOL_3-O-BETA-D-GLUCOSIDE

View entire compound with spectra: 1 NMR

2-METHOXYESTRADIOL_3-O-BETA-D-GLUCOSIDE
SpectraBase Compound ID 1TvmQlZCvON
InChI InChI=1S/C25H36O8/c1-25-8-7-13-14(16(25)5-6-20(25)27)4-3-12-9-18(17(31-2)10-15(12)13)32-24-23(30)22(29)21(28)19(11-26)33-24/h9-10,13-14,16,19-24,26-30H,3-8,11H2,1-2H3/t13-,14+,16-,19-,20-,21-,22+,23-,24-,25?/m0/s1
InChIKey HBWZSYLBBPMMCZ-VXYGVHDXSA-N
Mol Weight 464.6 g/mol
Molecular Formula C25H36O8
Exact Mass 464.241018 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VN29hox9Jo
Name 2-METHOXYESTRADIOL_3-O-BETA-D-GLUCOSIDE
Compound Number 17
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O8
InChI InChI=1S/C25H36O8/c1-25-8-7-13-14(16(25)5-6-20(25)27)4-3-12-9-18(17(31-2)10-15(12)13)32-24-23(30)22(29)21(28)19(11-26)33-24/h9-10,13-14,16,19-24,26-30H,3-8,11H2,1-2H3/t13-,14+,16-,19-,20-,21-,22+,23-,24-,25?/m0/s1
InChIKey HBWZSYLBBPMMCZ-VXYGVHDXSA-N
Literature Reference Author M.ZHOU,A.HAMZA,C.G.ZHAN,J.S.THORSON
Literature Reference Citation J.NAT.PROD.,76,279(2013)
Literature Reference DOI 10.1021/np300890h
Molecular Weight 464.556 g/mol
Sample ID 42228
Solvent Unknown
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