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(+)-Cavidine
SpectraBase Compound ID 1rOhmDu3Bkq
InChI InChI=1S/C21H23NO4/c1-12-14-4-5-17-21(26-11-25-17)16(14)10-22-7-6-13-8-18(23-2)19(24-3)9-15(13)20(12)22/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3/t12-,20-/m0/s1
InChIKey JTZZGWPIBBTYNE-YUNKPMOVSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0c6BoWjzg6
Name (+)-Cavidine
CAS Registry Number 79082-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-12-14-4-5-17-21(26-11-25-17)16(14)10-22-7-6-13-8-18(23-2)19(24-3)9-15(13)20(12)22/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3/t12-,20-/m0/s1
InChIKey JTZZGWPIBBTYNE-YUNKPMOVSA-N
Molecular Weight 353.418 g/mol
SMILES [C@@]12(N(CCc3cc(c(cc23)OC)OC)Cc2c([C@@]1(C)[H])ccc1c2OCO1)[H]
SPLASH splash10-03di-0903000000-d73be04f6ef2582f4f7d
Source of Spectrum J-46-4750-0
Synonyms 9-Dimethoxy-6-methyl-6,6a,11,14-tetrahydro-8,12H-benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine Cavidine
Wiley ID 1344016