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(7a.alpha.,8a.beta.,11a.beta.)-5,7,7a,8,8a,11a-Hexahydro-1,2,3-trimethoxy-10,10-dimethyl-6H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole

View entire compound with spectra: 1 MS (GC)

(7a.alpha.,8a.beta.,11a.beta.)-5,7,7a,8,8a,11a-Hexahydro-1,2,3-trimethoxy-10,10-dimethyl-6H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole
SpectraBase Compound ID LtziI1nLUel
InChI InChI=1S/C21H28O5/c1-21(2)25-15-9-12-7-6-8-13-10-17(22-3)19(23-4)20(24-5)18(13)14(12)11-16(15)26-21/h10-12,15-16H,6-9H2,1-5H3/t12-,15-,16+/m0/s1
InChIKey YCDCLMSVVFYUKC-VBNZEHGJSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2d3R14jMVk
Name (7a.alpha.,8a.beta.,11a.beta.)-5,7,7a,8,8a,11a-Hexahydro-1,2,3-trimethoxy-10,10-dimethyl-6H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole
Alternate Name(s) (7a.beta.,8a.beta.,11a.beta.)-5,7,7a,8,8a,11a-Hexahydro-1,2,3-trimethoxy-10,10-dimethyl-6H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole (7aS,8aS,11aR)-1,2,3-trimethoxy-10,10-dimethyl-6,7,7a,8,8a,11a-hexahydro-5H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole
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Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-21(2)25-15-9-12-7-6-8-13-10-17(22-3)19(23-4)20(24-5)18(13)14(12)11-16(15)26-21/h10-12,15-16H,6-9H2,1-5H3/t12-,15-,16+/m0/s1
InChIKey YCDCLMSVVFYUKC-VBNZEHGJSA-N
Molecular Weight 360.450 g/mol
SMILES C1=2c3c(c(OC)c(cc3CCC[C@]1(C[C@@]1(OC(O[C@@]1(C2)[H])(C)C)[H])[H])OC)OC
SPLASH splash10-0h90-0079000000-d670af0f669535288d0e
Source of Spectrum KB-1992-1422-23
Wiley ID 775682