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(1r,3r,5r,7r)-6-[(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carbonyl]-2-oxa-6-azatricyclo[3.3.1.1(3,7)]decane

View entire compound with spectra: 1 MS (GC)

(1r,3r,5r,7r)-6-[(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carbonyl]-2-oxa-6-azatricyclo[3.3.1.1(3,7)]decane
SpectraBase Compound ID EI0zohNj7g7
InChI InChI=1S/C28H39NO7/c1-28(2)23-6-5-19(33-14-31-3)13-22(23)26-24(34-15-32-4)7-16(8-25(26)36-28)27(30)29-17-9-20-11-18(29)12-21(10-17)35-20/h7-8,17-23H,5-6,9-15H2,1-4H3/t17?,18?,19-,20-,21?,22+,23+/m0/s1
InChIKey ZWGSNGBRACQGFA-JZMXJYMNSA-N
Mol Weight 501.6 g/mol
Molecular Formula C28H39NO7
Exact Mass 501.272653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcPzmRPOG5H
Name (1r,3r,5r,7r)-6-[(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carbonyl]-2-oxa-6-azatricyclo[3.3.1.1(3,7)]decane
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H39NO7
InChI InChI=1S/C28H39NO7/c1-28(2)23-6-5-19(33-14-31-3)13-22(23)26-24(34-15-32-4)7-16(8-25(26)36-28)27(30)29-17-9-20-11-18(29)12-21(10-17)35-20/h7-8,17-23H,5-6,9-15H2,1-4H3/t17?,18?,19-,20-,21?,22+,23+/m0/s1
InChIKey ZWGSNGBRACQGFA-JZMXJYMNSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100390h
Molecular Weight 501.620 g/mol
Optical Rotation [a]D23 = -67.3o (c = 0.015, CH2Cl2)
SMILES C1[C@@](C[C@@]2([C@@](C1)(C(Oc1c2c(cc(c1)C(=O)N1C2CC3CC1CC(O3)C2)OCOC)(C)C)[H])[H])(OCOC)[H]
SPLASH splash10-00kb-8914010000-533133b1694da9f20a21
Source of Spectrum AF-53-SM5-36
Wiley ID 1846192