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15.beta,21-Dihydroxy-3.beta.-[(tetrahydro-2H-pyran-2'-yl)oxy]-5.beta.-pregn-16-en-20-one
SpectraBase Compound ID ARYEeBd9K0a
InChI InChI=1S/C26H40O5/c1-25-10-8-17(31-23-5-3-4-12-30-23)13-16(25)6-7-18-19(25)9-11-26(2)20(22(29)15-27)14-21(28)24(18)26/h14,16-19,21,23-24,27-28H,3-13,15H2,1-2H3/t16-,17+,18?,19?,21-,23?,24-,25+,26-/m1/s1
InChIKey YSIXMGMFXXVQER-VWRSXUPMSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H40O5
Exact Mass 432.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0peWLVOf7D
Name 15.beta,21-Dihydroxy-3.beta.-[(tetrahydro-2H-pyran-2'-yl)oxy]-5.beta.-pregn-16-en-20-one
Alternate Name(s) (3beta,5beta,15beta)-15,21-dihydroxy-3-(tetrahydro-2H-pyran-2-yloxy)pregn-16-en-20-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O5
InChI InChI=1S/C26H40O5/c1-25-10-8-17(31-23-5-3-4-12-30-23)13-16(25)6-7-18-19(25)9-11-26(2)20(22(29)15-27)14-21(28)24(18)26/h14,16-19,21,23-24,27-28H,3-13,15H2,1-2H3/t16-,17+,18?,19?,21-,23?,24-,25+,26-/m1/s1
InChIKey YSIXMGMFXXVQER-VWRSXUPMSA-N
Molecular Weight 432.601 g/mol
SMILES O[C@]1([C@@]2([C@@](C(C(CO)=O)=C1)(CCC1[C@@]3([C@](CCC21)(C[C@](CC3)(OC1OCCCC1)[H])[H])C)C)[H])[H]
SPLASH splash10-0019-9017000000-a8a6fd754155a6f5e1c8
Source of Spectrum J-60-1827-12
Wiley ID 1382419