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3-Acetoxy-17-(decanylcarbonyloxy)-estra-1,3,5(10)-triene
SpectraBase Compound ID 1D95qBot9Ca
InChI InChI=1S/C31H46O4/c1-4-5-6-7-8-9-10-11-12-30(33)35-29-18-17-28-27-15-13-23-21-24(34-22(2)32)14-16-25(23)26(27)19-20-31(28,29)3/h14,16,21,26-29H,4-13,15,17-20H2,1-3H3/t26-,27-,28+,29?,31+/m1/s1
InChIKey TUUVDZYEJYYVGS-KGCPEFSBSA-N
Mol Weight 482.7 g/mol
Molecular Formula C31H46O4
Exact Mass 482.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5SHFNk4NZy
Name 3-Acetoxy-17-(decanylcarbonyloxy)-estra-1,3,5(10)-triene
Alternate Name(s) 3-(acetyloxy)estra-1,3,5(10)-trien-17-yl undecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O4
InChI InChI=1S/C31H46O4/c1-4-5-6-7-8-9-10-11-12-30(33)35-29-18-17-28-27-15-13-23-21-24(34-22(2)32)14-16-25(23)26(27)19-20-31(28,29)3/h14,16,21,26-29H,4-13,15,17-20H2,1-3H3/t26-,27-,28+,29?,31+/m1/s1
InChIKey TUUVDZYEJYYVGS-KGCPEFSBSA-N
Molecular Weight 482.705 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC(=O)C)c4)[H])(CCC1OC(=O)CCCCCCCCCC)[H])C
SPLASH splash10-0006-4940500000-b5dd581c360a489f46c6
Source of Spectrum CJ-1992-0-0
Wiley ID 1395715