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7-[17'-Oxo-3'-methoxy-1',3',5'(10')-estratrien-16-.alpha. / .beta.-yl]-1-[(tetrahydro-2"H-pyran-2"-yl)oxy]heptane
SpectraBase Compound ID FBOIj3B6cqs
InChI InChI=1S/C31H46O4/c1-31-17-16-26-25-15-13-24(33-2)20-22(25)12-14-27(26)28(31)21-23(30(31)32)10-6-4-3-5-8-18-34-29-11-7-9-19-35-29/h13,15,20,23,26-29H,3-12,14,16-19,21H2,1-2H3/t23?,26?,27?,28?,29?,31-/m0/s1
InChIKey ZAKHDMYSZXNPQA-MADQIVRTSA-N
Mol Weight 482.7 g/mol
Molecular Formula C31H46O4
Exact Mass 482.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2G2Wqxmzlxt
Name 7-[17'-Oxo-3'-methoxy-1',3',5'(10')-estratrien-16-.alpha. / .beta.-yl]-1-[(tetrahydro-2"H-pyran-2"-yl)oxy]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O4
InChI InChI=1S/C31H46O4/c1-31-17-16-26-25-15-13-24(33-2)20-22(25)12-14-27(26)28(31)21-23(30(31)32)10-6-4-3-5-8-18-34-29-11-7-9-19-35-29/h13,15,20,23,26-29H,3-12,14,16-19,21H2,1-2H3/t23?,26?,27?,28?,29?,31-/m0/s1
InChIKey ZAKHDMYSZXNPQA-MADQIVRTSA-N
Molecular Weight 482.705 g/mol
SMILES [C@@]12(C(C3CCc4c(C3CC2)ccc(OC)c4)CC(C1=O)CCCCCCCOC1OCCCC1)C
SPLASH splash10-052k-9246000000-c614ff585388986d26c3
Source of Spectrum SK-25-2492-4
Synonyms 7-[17'-Oxo-3'-methoxy-1',3',5'(10')-estratrien-16-.alpha. / .beta.-yl]-1-[(tetrahydro-2''H-pyran-2''-yl)oxy]heptane
Wiley ID 866902