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7-[17'-.beta.-Hydroxy-3'-methoxy-1',3',5'(10')-estratrien-16-.alpha.-yl]-1-[(tetrahydro-2"H-pyran-2"-yl)oxy]heptane
SpectraBase Compound ID 6Qa7qYobtKL
InChI InChI=1S/C31H48O4/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/h13,15,20,23,26-30,32H,3-12,14,16-19,21H2,1-2H3/t23-,26?,27?,28?,29?,30+,31+/m1/s1
InChIKey HCNGSCMELSHUNX-QKJWAPOOSA-N
Mol Weight 484.7 g/mol
Molecular Formula C31H48O4
Exact Mass 484.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K82PrKkpeaJ
Name 7-[17'-.beta.-Hydroxy-3'-methoxy-1',3',5'(10')-estratrien-16-.alpha.-yl]-1-[(tetrahydro-2"H-pyran-2"-yl)oxy]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H48O4
InChI InChI=1S/C31H48O4/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/h13,15,20,23,26-30,32H,3-12,14,16-19,21H2,1-2H3/t23-,26?,27?,28?,29?,30+,31+/m1/s1
InChIKey HCNGSCMELSHUNX-QKJWAPOOSA-N
Molecular Weight 484.721 g/mol
SMILES O[C@@]1([C@@]2(C(C3CCc4c(C3CC2)ccc(OC)c4)C[C@]1(CCCCCCCOC1OCCCC1)[H])C)[H]
SPLASH splash10-0udi-8320900000-3bcb1713b9f82391808f
Source of Spectrum SK-25-2493-5
Synonyms (16alpha,17beta)-3-methoxy-16-[7-(tetrahydro-2H-pyran-2-yloxy)heptyl]estra-1,3,5(10)-trien-17-ol 7-[17'-.beta.-Hydroxy-3'-methoxy-1',3',5'(10')-estratrien-16-.alpha.-yl]-1-[(tetrahydro-2''H-pyran-2''-yl)oxy]heptane
Wiley ID 866901