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3,20.beta.-Diacetoxy-5.beta.-methylpregn-3-ene
SpectraBase Compound ID AC9KbU9JtxH
InChI InChI=1S/C26H40O4/c1-16(29-17(2)27)21-7-8-22-20-10-12-24(4)15-19(30-18(3)28)9-14-26(24,6)23(20)11-13-25(21,22)5/h15-16,20-23H,7-14H2,1-6H3/t16-,20+,21-,22+,23+,24-,25-,26-/m1/s1
InChIKey KVSPODMAIPFSRC-ORIOIOHUSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6T6biQKL7XK
Name 3,20.beta.-Diacetoxy-5.beta.-methylpregn-3-ene
Appearance White amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-16(29-17(2)27)21-7-8-22-20-10-12-24(4)15-19(30-18(3)28)9-14-26(24,6)23(20)11-13-25(21,22)5/h15-16,20-23H,7-14H2,1-6H3/t16-,20+,21-,22+,23+,24-,25-,26-/m1/s1
InChIKey KVSPODMAIPFSRC-ORIOIOHUSA-N
Instrument Name Shimadzu QP-5006
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.c10
Molecular Weight 416.602 g/mol
SMILES C1C[C@]2([C@@](C=C1OC(C)=O)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](C)(OC(C)=O)[H])[H])[H])C)[H])[H])C)C
SPLASH splash10-052f-9102000000-c5866ceab2af928525e0
Source of Spectrum ARK-2005-161-8
Wiley ID 1870898