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(7S)-1,2,3,9-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-10-one
SpectraBase Compound ID 3pKFeQL2Er8
InChI InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-16(23)17(24-2)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
InChIKey OFXMYVZMWOQKLM-HNNXBMFYSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrdjE9jMhrK
Name (7S)-1,2,3,9-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-10-one
Alternate Name(s) Isodemecolcine
CAS Registry Number 4702-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-16(23)17(24-2)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
InChIKey OFXMYVZMWOQKLM-HNNXBMFYSA-N
Molecular Weight 371.433 g/mol
SMILES N([C@@]1(C2=C(c3c(c(OC)c(cc3CC1)OC)OC)C=CC(=O)C(=C2)OC)[H])C
SPLASH splash10-05fr-0019000000-51a71a502582748c5547
Source of Spectrum H-62-970-0
Wiley ID 1355003