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3H-Pyrrolizin-3-one, 1-(acetyloxy)-6-[1-(formyloxy)-1-methylethyl]hexahydro-7-[(phenylmethoxy)methyl]-, [1R-(1.alpha.,6.beta.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID FntidMpDYTr
InChI InChI=1S/C21H27NO6/c1-14(24)28-18-9-19(25)22-10-17(21(2,3)27-13-23)16(20(18)22)12-26-11-15-7-5-4-6-8-15/h4-8,13,16-18,20H,9-12H2,1-3H3/t16-,17+,18+,20-/m0/s1
InChIKey ZQWVFDAAEAQQDX-XFKSJGNHSA-N
Mol Weight 389.45 g/mol
Molecular Formula C21H27NO6
Exact Mass 389.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVOpbEnHGKJ
Name 3H-Pyrrolizin-3-one, 1-(acetyloxy)-6-[1-(formyloxy)-1-methylethyl]hexahydro-7-[(phenylmethoxy)methyl]-, [1R-(1.alpha.,6.beta.,7.alpha.,7a.alpha.)]-
Alternate Name(s) (1R,6S,7S,7aS)-7-[(benzyloxy)methyl]-6-[1-(formyloxy)-1-methylethyl]-3-oxohexahydro-1H-pyrrolo[1,2-a]pyrrol-1-yl acetate 1(S)-acetoxy-6(R)-(2-acetoxyprop-2-yl)-7(S)-[(benzyloxy)methyl]-7a(R)-hexahydro-3H-pyrrolizin-3-one
CAS Registry Number 86534-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO6
InChI InChI=1S/C21H27NO6/c1-14(24)28-18-9-19(25)22-10-17(21(2,3)27-13-23)16(20(18)22)12-26-11-15-7-5-4-6-8-15/h4-8,13,16-18,20H,9-12H2,1-3H3/t16-,17+,18+,20-/m0/s1
InChIKey ZQWVFDAAEAQQDX-XFKSJGNHSA-N
Molecular Weight 389.448 g/mol
SMILES C1(N2[C@]([C@@](C1)(OC(=O)C)[H])([C@@](COCc1ccccc1)([C@@](C2)(C(OC=O)(C)C)[H])[H])[H])=O
SPLASH splash10-002f-7910000000-875d34074da38608ced8
Source of Spectrum J-50-241-46
Wiley ID 1364349