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(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-N-[(1r,3r,5r,7r)-adamantan-2-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide

View entire compound with spectra: 1 MS (GC)

(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-N-[(1r,3r,5r,7r)-adamantan-2-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide
SpectraBase Compound ID 4GPus43PZay
InChI InChI=1S/C30H43NO6/c1-30(2)24-6-5-22(35-15-33-3)14-23(24)27-25(36-16-34-4)12-21(13-26(27)37-30)29(32)31-28-19-8-17-7-18(10-19)11-20(28)9-17/h12-13,17-20,22-24,28H,5-11,14-16H2,1-4H3,(H,31,32)/t17-,18+,19-,20+,22-,23+,24+,28?/m0/s1
InChIKey LMAJSQJIULZDJF-WBSAZVGJSA-N
Mol Weight 513.7 g/mol
Molecular Formula C30H43NO6
Exact Mass 513.309038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mVQgPV7gUm
Name (6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-N-[(1r,3r,5r,7r)-adamantan-2-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H43NO6
InChI InChI=1S/C30H43NO6/c1-30(2)24-6-5-22(35-15-33-3)14-23(24)27-25(36-16-34-4)12-21(13-26(27)37-30)29(32)31-28-19-8-17-7-18(10-19)11-20(28)9-17/h12-13,17-20,22-24,28H,5-11,14-16H2,1-4H3,(H,31,32)/t17-,18+,19-,20+,22-,23+,24+,28?/m0/s1
InChIKey LMAJSQJIULZDJF-WBSAZVGJSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100390h
Molecular Weight 513.675 g/mol
Optical Rotation [a]D23 = -68.7o (c = 0.020, CH2Cl2)
SMILES N(C1[C@]2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])[H])C(c1cc(c2[C@@]3(C[C@](CC[C@]3(C(Oc2c1)(C)C)[H])(OCOC)[H])[H])OCOC)=O
SPLASH splash10-0pb9-1941210000-c253e1ccd72f2d88ffc8
Source of Spectrum AF-53-SM7-40
Wiley ID 1846196