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Reineckiagenin
SpectraBase Compound ID CJQGg4fmh4k
InChI InChI=1S/C27H44O5/c1-15-23-21(32-27(15)10-9-24(2,30)14-31-27)13-20-18-6-5-16-11-17(28)12-22(29)26(16,4)19(18)7-8-25(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15?,16?,17?,18?,19?,20?,21?,22?,23?,24-,25?,26?,27-/m1/s1
InChIKey ZRIGWQMDPBPSHA-QWUHGXHLSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HLzK56CIK
Name Reineckiagenin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-15-23-21(32-27(15)10-9-24(2,30)14-31-27)13-20-18-6-5-16-11-17(28)12-22(29)26(16,4)19(18)7-8-25(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15?,16?,17?,18?,19?,20?,21?,22?,23?,24-,25?,26?,27-/m1/s1
InChIKey ZRIGWQMDPBPSHA-QWUHGXHLSA-N
Molecular Weight 448.644 g/mol
SMILES OC1CC2CCC3C(C2(C(C1)O)C)CCC1(C3CC2C1C([C@@]1(O2)OC[C@@](O)(C)CC1)C)C
SPLASH splash10-0bt9-0933100000-8b252b3e46afb5b72bad
Source of Spectrum D3-1980-223-10
Synonyms Spirostan-1,3,25-triol
Wiley ID 1387287