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(1R)-(1.beta.,2.alpha.,8E,8a.beta.)-1,2-diacetoxy-8-(phenylmethylene)hexahydro-3(2H)-indolizinone
SpectraBase Compound ID DEorZcaFgdQ
InChI InChI=1S/C19H21NO5/c1-12(21)24-17-16-15(11-14-7-4-3-5-8-14)9-6-10-20(16)19(23)18(17)25-13(2)22/h3-5,7-8,11,16-18H,6,9-10H2,1-2H3/b15-11+/t16-,17-,18+/m1/s1
InChIKey WBVSEYPZIPAUHJ-NMDWFRAKSA-N
Mol Weight 343.38 g/mol
Molecular Formula C19H21NO5
Exact Mass 343.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65bIcvYbNmT
Name (1R)-(1.beta.,2.alpha.,8E,8a.beta.)-1,2-diacetoxy-8-(phenylmethylene)hexahydro-3(2H)-indolizinone
CAS Registry Number 117269-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO5
InChI InChI=1S/C19H21NO5/c1-12(21)24-17-16-15(11-14-7-4-3-5-8-14)9-6-10-20(16)19(23)18(17)25-13(2)22/h3-5,7-8,11,16-18H,6,9-10H2,1-2H3/b15-11+/t16-,17-,18+/m1/s1
InChIKey WBVSEYPZIPAUHJ-NMDWFRAKSA-N
Molecular Weight 343.379 g/mol
SMILES C1(N2[C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(\C(=C\c1ccccc1)CCC2)[H])=O
SPLASH splash10-0006-9370000000-373fac4aaeabb75531ad
Source of Spectrum J-53-6028-23
Synonyms (1R,2S,8E,8aR)-1-(acetyloxy)-8-benzylidene-3-oxooctahydro-2-indolizinyl acetate
Wiley ID 1337282