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[1,3]Dioxolo[4,5]furo[2,3-d]isoxazole-2,3(3H)-dicarboxylic acid,tetrahydro-6,6-dimethyl-, 3-(1,1-dimethylethyl) 2-(phenylmethyl) ester, [3S-(3.alpha.,3a.alpha.,4a.beta.,7a.beta.,7b.alpha.)]-
SpectraBase Compound ID uwrtByA8C4
InChI InChI=1S/C21H27NO8/c1-20(2,3)28-17(23)13-14-15(16-18(26-14)29-21(4,5)27-16)30-22(13)19(24)25-11-12-9-7-6-8-10-12/h6-10,13-16,18H,11H2,1-5H3
InChIKey VDKCUWCZBVDLPP-UHFFFAOYSA-N
Mol Weight 421.45 g/mol
Molecular Formula C21H27NO8
Exact Mass 421.173667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2qSoVIkFxE
Name [1,3]Dioxolo[4,5]furo[2,3-d]isoxazole-2,3(3H)-dicarboxylic acid,tetrahydro-6,6-dimethyl-, 3-(1,1-dimethylethyl) 2-(phenylmethyl) ester, [3S-(3.alpha.,3a.alpha.,4a.beta.,7a.beta.,7b.alpha.)]-
CAS Registry Number 84036-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO8
InChI InChI=1S/C21H27NO8/c1-20(2,3)28-17(23)13-14-15(16-18(26-14)29-21(4,5)27-16)30-22(13)19(24)25-11-12-9-7-6-8-10-12/h6-10,13-16,18H,11H2,1-5H3
InChIKey VDKCUWCZBVDLPP-UHFFFAOYSA-N
Molecular Weight 421.446 g/mol
SMILES C1(N(OC2C3C(OC12)OC(O3)(C)C)C(OCc1ccccc1)=O)C(OC(C)(C)C)=O
SPLASH splash10-0006-9010000000-875b36661ab06b22bee2
Source of Spectrum H-65-1140-0
Synonyms (t-butyl) ester of (3S,3aR,4aR,7aR,7bS)-2-benzyloxycarbonyl-6,6-dimethyl-perhydro[1,3]dioxolo-[4'',':4,5]furo[2,3-d]isoxazol-3-carboxylic acid (t-Butyl) ester of (3S,3aR,4aR,7aR,7bS)-2-Benzyloxycarbonyl-6,6-dimethyl-perhydro[1,3]dioxolo-[4'',':4,5]furo[2,3-d]isoxazol-3-carboxylic acid 2-Benzyl 3-tert-butyl 6,6-dimethyltetrahydro[1,3]dioxolo[4',5':4,5]furo[2,3-d]isoxazole-2,3(3H)-dicarboxylate
Wiley ID 1378290