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7-[17'-Oxo-16'-.alpha. / .beta.-(methoxycarbonyl)-3'-methoxy-1',3',5'(10')-estratrien-16-.alpha. / .beta.-yl]-1-[(tetrahydro-2"H-pyran-2"-yl)oxy]heptane
SpectraBase Compound ID IOJiK2DzAgy
InChI InChI=1S/C33H48O6/c1-32-18-16-26-25-15-13-24(36-2)21-23(25)12-14-27(26)28(32)22-33(30(32)34,31(35)37-3)17-8-5-4-6-9-19-38-29-11-7-10-20-39-29/h13,15,21,26-29H,4-12,14,16-20,22H2,1-3H3/t26?,27?,28?,29?,32-,33?/m0/s1
InChIKey VBVLPXJDELAJDB-YCZOEIGFSA-N
Mol Weight 540.7 g/mol
Molecular Formula C33H48O6
Exact Mass 540.345089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AL6IlvmDUyA
Name 7-[17'-Oxo-16'-.alpha. / .beta.-(methoxycarbonyl)-3'-methoxy-1',3',5'(10')-estratrien-16-.alpha. / .beta.-yl]-1-[(tetrahydro-2"H-pyran-2"-yl)oxy]heptane
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Formula C33H48O6
InChI InChI=1S/C33H48O6/c1-32-18-16-26-25-15-13-24(36-2)21-23(25)12-14-27(26)28(32)22-33(30(32)34,31(35)37-3)17-8-5-4-6-9-19-38-29-11-7-10-20-39-29/h13,15,21,26-29H,4-12,14,16-20,22H2,1-3H3/t26?,27?,28?,29?,32-,33?/m0/s1
InChIKey VBVLPXJDELAJDB-YCZOEIGFSA-N
Molecular Weight 540.741 g/mol
SMILES C1(C([C@]2(CCC3C(C2C1)CCc1cc(OC)ccc31)C)=O)(C(=O)OC)CCCCCCCOC1OCCCC1
SPLASH splash10-0a70-9253300000-06cc2cbf827b3a0d9434
Source of Spectrum SK-25-2491-3
Synonyms 7-[17'-Oxo-16'-.alpha. / .beta.-(methoxycarbonyl)-3'-methoxy-1',3',5'(10')-estratrien-16-.alpha. / .beta.-yl]-1-[(tetrahydro-2''H-pyran-2''-yl)oxy]heptane
Wiley ID 866903