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(6E)-6-Oxoestra-1,3,5(10)-triene-3,17.beta.-diyl diacetate - O-3'-(methoxycarbonyl)propyl]oxime
SpectraBase Compound ID 7wxdU7eMEIl
InChI InChI=1S/C27H35NO7/c1-16(29)34-18-7-8-19-20-11-12-27(3)23(9-10-25(27)35-17(2)30)21(20)15-24(22(19)14-18)28-33-13-5-6-26(31)32-4/h7-8,14,20-21,23,25H,5-6,9-13,15H2,1-4H3/b28-24-/t20?,21?,23?,25-,27-/m0/s1
InChIKey AFGDUABKPBZTDG-KTKJTNPDSA-N
Mol Weight 485.6 g/mol
Molecular Formula C27H35NO7
Exact Mass 485.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDvuNh78S
Name (6E)-6-Oxoestra-1,3,5(10)-triene-3,17.beta.-diyl diacetate - O-3'-(methoxycarbonyl)propyl]oxime
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Formula C27H35NO7
InChI InChI=1S/C27H35NO7/c1-16(29)34-18-7-8-19-20-11-12-27(3)23(9-10-25(27)35-17(2)30)21(20)15-24(22(19)14-18)28-33-13-5-6-26(31)32-4/h7-8,14,20-21,23,25H,5-6,9-13,15H2,1-4H3/b28-24-/t20?,21?,23?,25-,27-/m0/s1
InChIKey AFGDUABKPBZTDG-KTKJTNPDSA-N
Molecular Weight 485.577 g/mol
SMILES C12C3[C@@]([C@@](OC(=O)C)(CC3)[H])(CCC1c1c(cc(OC(=O)C)cc1)\C(C2)=N/OCCCC(=O)OC)C
SPLASH splash10-0fb9-1917400000-5605707cbff32c4502c3
Source of Spectrum G-62-469-25
Synonyms (6Z)-6-Oxoestra-1,3,5(10)-triene-3,17.beta.-diyl diacetate - O-3'-(methoxycarbonyl)propyl]oxime (6E)-6-Oxoestra-1,3,5(10)-triene-3,17.beta.-diyl diacetate -6-O-3'-(methoxycarbonyl)propyl]oxime
Wiley ID 749260