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Homoaromoline

View entire compound with spectra: 2 MS (GC)

Homoaromoline
SpectraBase Compound ID 4BvislEYbgB
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29?/m1/s1
InChIKey YJRWQNIRFXVBRB-FICMROCWSA-N
Mol Weight 608.7 g/mol
Molecular Formula C37H40N2O6
Exact Mass 608.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLvXxkxLeFe
Name Homoaromoline
Alternate Name(s) (+)-Homoaromoline 6,6',12'-Trimethoxy-2,2'-dimethyloxyacanthan-7-ol Homothalicrine Oxyacanthan-7-ol, 6,6',12'-trimethoxy-2,2'-dimethyl- Thalrugosamine NSC 251213
CAS Registry Number 17132-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N2O6
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29?/m1/s1
InChIKey YJRWQNIRFXVBRB-FICMROCWSA-N
Molecular Weight 608.735 g/mol
SMILES Oc1c2c3C(Cc4ccc(Oc5c(OC)ccc(C[C@@]6(c7cc(O2)c(OC)cc7CCN6C)[H])c5)cc4)N(C)CCc3cc1OC
SPLASH splash10-0006-0902003000-2605ecbb0240a67309ef
Source of Spectrum J-41-318-0
Wiley ID 1410775