1-[(Benzyloxy)carbonyl]-3-(1'-isopropenyl)-8,8-dimethyl-7,9-dioxa-1-aztricycloundecane

SpectraBase Compound ID	1ChuUHShdcl
InChI	InChI=1S/C21H27NO4/c1-13(2)16-11-22(20(23)24-12-14-8-6-5-7-9-14)18-15(16)10-17-19(18)26-21(3,4)25-17/h5-9,15-19H,1,10-12H2,2-4H3/t15-,16+,17+,18+,19+/m0/s1
InChIKey	VJNXMNWZZTUFCV-UURKPOQGSA-N Google Search
Mol Weight	357.45 g/mol
Molecular Formula	C21H27NO4
Exact Mass	357.194008 g/mol

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SpectraBase Spectrum ID	HHYCu83Fmg4
Name	1-[(Benzyloxy)carbonyl]-3-(1'-isopropenyl)-8,8-dimethyl-7,9-dioxa-1-aztricycloundecane
Alternate Name(s)	4,4-Dimethyl-N(1)-[(benzyloxy)carbonyl]-10-(2'-isopropenyl)-5,6-dioxa-1-azatricyclo[5.3.3.(2,9).0(3,7)]undecane (3aS,3bR,6S,6aS,7aR)-2,2-dimethyl-6-(1-methylethenyl)-3b,5,6,6a,7,7a-hexahydro-3aH-[1,3]dioxolo[4,5]cyclopenta[2,4-b]pyrrole-4-carboxylic acid (phenylmethyl) ester benzyl (3aS,3bR,6S,6aS,7aR)-2,2-dimethyl-6-prop-1-en-2-yl-3b,5,6,6a,7,7a-hexahydro-3aH-[1,3]dioxolo[4,5]cyclopenta[2,4-b]pyrrole-4-carboxylate benzyl (3aS,3bR,6S,6aS,7aR)-6-isopropenyl-2,2-dimethyl-3b,5,6,6a,7,7a-hexahydro-3aH-[1,3]dioxolo[4,5]cyclopenta[2,4-b]pyrrole-4-carboxylate (phenylmethyl) (3aS,3bR,6S,6aS,7aR)-2,2-dimethyl-6-prop-1-en-2-yl-3b,5,6,6a,7,7a-hexahydro-3aH-[1,3]dioxolo[4,5]cyclopenta[2,4-b]pyrrole-4-carboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H27NO4
InChI	InChI=1S/C21H27NO4/c1-13(2)16-11-22(20(23)24-12-14-8-6-5-7-9-14)18-15(16)10-17-19(18)26-21(3,4)25-17/h5-9,15-19H,1,10-12H2,2-4H3/t15-,16+,17+,18+,19+/m0/s1
InChIKey	VJNXMNWZZTUFCV-UURKPOQGSA-N
Molecular Weight	357.450 g/mol
SMILES	[C@]12(N(C[C@@]([C@@]1(C[C@@]1([C@]2(OC(O1)(C)C)[H])[H])[H])(C(=C)C)[H])C(OCc1ccccc1)=O)[H]
SPLASH	splash10-0006-9001000000-fb8159d128a8abaecaf9
Source of Spectrum	OL-2-3183-10
Wiley ID	1547518