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.beta.-Estradiol 17-valerate, methyl ether

View entire compound with spectra: 1 NMR

.beta.-Estradiol 17-valerate, methyl ether
SpectraBase Compound ID I04CUxPDDOq
InChI InChI=1S/C24H34O3/c1-4-5-6-23(25)27-22-12-11-21-20-9-7-16-15-17(26-3)8-10-18(16)19(20)13-14-24(21,22)2/h8,10,15,19-22H,4-7,9,11-14H2,1-3H3
InChIKey JUFSCZWQPRYRQG-UHFFFAOYSA-N
Mol Weight 370.5 g/mol
Molecular Formula C24H34O3
Exact Mass 370.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93JFG30HbeP
Name .beta.-Estradiol 17-valerate, methyl ether
Comments Computed using HOSE algorithm
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Exact Mass 370.250794952 u
Formula C24H34O3
InChI InChI=1S/C24H34O3/c1-4-5-6-23(25)27-22-12-11-21-20-9-7-16-15-17(26-3)8-10-18(16)19(20)13-14-24(21,22)2/h8,10,15,19-22H,4-7,9,11-14H2,1-3H3
InChIKey JUFSCZWQPRYRQG-UHFFFAOYSA-N
Molecular Weight 370.533 g/mol
SMILES C12=CC=C(C=C2CCC2C1CCC1(C2CCC1OC(=O)CCCC)C)OC