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(11S)-11.beta.-(phenylseleno)-3-oxoeudesmano-13,6.alpha.-lactone
SpectraBase Compound ID B6A4LM5yRw0
InChI InChI=1S/C21H26O3Se/c1-13-16(22)10-12-20(2)11-9-15-18(17(13)20)24-19(23)21(15,3)25-14-7-5-4-6-8-14/h4-8,13,15,17-18H,9-12H2,1-3H3/t13?,15-,17?,18?,20-,21+/m0/s1
InChIKey VAUNKCWJKSVKDG-GHHVGTFGSA-N
Mol Weight 405.41 g/mol
Molecular Formula C21H26O3Se
Exact Mass 406.104717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CW5c7KWqI6
Name (11S)-11.beta.-(phenylseleno)-3-oxoeudesmano-13,6.alpha.-lactone
CAS Registry Number 99297-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3Se
InChI InChI=1S/C21H26O3Se/c1-13-16(22)10-12-20(2)11-9-15-18(17(13)20)24-19(23)21(15,3)25-14-7-5-4-6-8-14/h4-8,13,15,17-18H,9-12H2,1-3H3/t13?,15-,17?,18?,20-,21+/m0/s1
InChIKey VAUNKCWJKSVKDG-GHHVGTFGSA-N
Molecular Weight 405.408 g/mol
SMILES [C@]1(C(OC2[C@@]1(CC[C@]1(CCC(C(C21)C)=O)C)[H])=O)([Se]c1ccccc1)C
SPLASH splash10-052b-0490800000-39ba392b3e1a48900638
Source of Spectrum J-52-4795-10
Synonyms (3R,3aS,5aS)-3,5a,9-trimethyl-3-(phenylselanyl)octahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
Wiley ID 1372068