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

View entire compound with spectra: 1 MS (GC)

(6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-N-[(1s,3R,5S,7s)-adamantan-1-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-3-carboxamide
SpectraBase Compound ID BLTzMP57YV4
InChI InChI=1S/C30H43NO6/c1-29(2)24-6-5-22(35-16-33-3)12-23(24)27-25(36-17-34-4)10-21(11-26(27)37-29)28(32)31-30-13-18-7-19(14-30)9-20(8-18)15-30/h10-11,18-20,22-24H,5-9,12-17H2,1-4H3,(H,31,32)/t18?,19?,20?,22-,23-,24-,30?/m1/s1
InChIKey NHXYDMOZRYEJFB-UOYIOTMGSA-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 BCuxu9aR7SS
Name (6aR,9R,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-N-[(1s,3R,5S,7s)-adamantan-1-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/c1-29(2)24-6-5-22(35-16-33-3)12-23(24)27-25(36-17-34-4)10-21(11-26(27)37-29)28(32)31-30-13-18-7-19(14-30)9-20(8-18)15-30/h10-11,18-20,22-24H,5-9,12-17H2,1-4H3,(H,31,32)/t18?,19?,20?,22-,23-,24-,30?/m1/s1
InChIKey NHXYDMOZRYEJFB-UOYIOTMGSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100390h
Molecular Weight 513.675 g/mol
Optical Rotation [a]D23 = -46.7o (c = 0.017, CH2Cl2)
SMILES N(C12CC3CC(CC(C3)C1)C2)C(c1cc(c2[C@@]3(C[C@@](CC[C@]3(C(Oc2c1)(C)C)[H])(OCOC)[H])[H])OCOC)=O
SPLASH splash10-0a4r-0600900000-a987804dda19c6bbabef
Source of Spectrum AF-53-SM5-37
Wiley ID 1846193