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13-Methyl-17-ethynyl-17-(hexylcarbonyloxy)-3-oxoestr-4-ene
SpectraBase Compound ID 8HdHXfwgwHR
InChI InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27?/m0/s1
InChIKey APTGJECXMIKIET-OHNLJRRPSA-N
Mol Weight 410.6 g/mol
Molecular Formula C27H38O3
Exact Mass 410.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VPDckNgPDV
Name 13-Methyl-17-ethynyl-17-(hexylcarbonyloxy)-3-oxoestr-4-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O3
InChI InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27?/m0/s1
InChIKey APTGJECXMIKIET-OHNLJRRPSA-N
Molecular Weight 410.598 g/mol
SMILES [C@@]12(C(C#C)(OC(=O)CCCCCC)CC[C@]2([C@@]2(CCC=3[C@@]([C@]2(CC1)[H])(CCC(=O)C3)[H])[H])[H])C
SPLASH splash10-03dj-0891200000-bcae3269cd15c64680d3
Source of Spectrum CJ-1992-0-0
Synonyms 17-ethynyl-3-oxoestr-4-en-17-yl heptanoate
Wiley ID 1373828