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13-Methyl-3-hydroxy-17-(decanylcarbonyloxy)-1,2,3,4,5,10-hexadehydroestrane

View entire compound with spectra: 1 MS (GC)

13-Methyl-3-hydroxy-17-(decanylcarbonyloxy)-1,2,3,4,5,10-hexadehydroestrane
SpectraBase Compound ID 7eas2S2jkGK
InChI InChI=1S/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h13,15,20,24-27,30H,3-12,14,16-19H2,1-2H3/t24-,25-,26+,27?,29+/m1/s1
InChIKey TXHUMRBWIWWBGW-AFZZLIEPSA-N
Mol Weight 440.7 g/mol
Molecular Formula C29H44O3
Exact Mass 440.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzmRAMYiMZk
Name 13-Methyl-3-hydroxy-17-(decanylcarbonyloxy)-1,2,3,4,5,10-hexadehydroestrane
Alternate Name(s) 3-Hydroxyestra-1,3,5(10)-trien-17-yl undecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O3
InChI InChI=1S/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h13,15,20,24-27,30H,3-12,14,16-19H2,1-2H3/t24-,25-,26+,27?,29+/m1/s1
InChIKey TXHUMRBWIWWBGW-AFZZLIEPSA-N
Molecular Weight 440.668 g/mol
SMILES Oc1ccc2[C@]3(CC[C@]4([C@]([C@@]3(CCc2c1)[H])(CCC4OC(=O)CCCCCCCCCC)[H])C)[H]
SPLASH splash10-0a4l-4900500000-66b08a4417662cdc73b1
Source of Spectrum CJ-1992-0-0
Wiley ID 1384867