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1-Methylestradiol diacetate

View entire compound with spectra: 1 NMR

1-Methylestradiol diacetate
SpectraBase Compound ID FhgKkBewB79
InChI InChI=1S/C23H30O4/c1-13-11-17(26-14(2)24)12-16-5-6-18-19(22(13)16)9-10-23(4)20(18)7-8-21(23)27-15(3)25/h11-12,18-21H,5-10H2,1-4H3/t18-,19+,20+,21+,23+/m1/s1
InChIKey NILDBYSCMHAFMF-KPUUQYQLSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61rs8TVQswT
Name 1-Methylestradiol diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.214409442 u
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-13-11-17(26-14(2)24)12-16-5-6-18-19(22(13)16)9-10-23(4)20(18)7-8-21(23)27-15(3)25/h11-12,18-21H,5-10H2,1-4H3/t18-,19+,20+,21+,23+/m1/s1
InChIKey NILDBYSCMHAFMF-KPUUQYQLSA-N
Molecular Weight 370.489 g/mol
SMILES C1(=CC(OC(=O)C)=CC2=C1[C@]1(CC[C@]3([C@]([C@@]1(CC2)[H])(CC[C@@]3(OC(=O)C)[H])[H])C)[H])C