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Spiro[cyclohexane-1,7'(1'H)-cyclopent[ij]isoquinoline]-4,6'-diol, 2',3',8',8'a-tetrahydro-3,5'-dimethoxy-1'-methyl-, [1R-[1.alpha.(S*),3.beta.,4.beta.]]-
SpectraBase Compound ID 8a48mfgaGo7
InChI InChI=1S/C19H27NO4/c1-20-7-5-11-8-14(23-2)18(22)17-16(11)12(20)9-19(17)6-4-13(21)15(10-19)24-3/h8,12-13,15,21-22H,4-7,9-10H2,1-3H3/t12?,13-,15+,19+/m0/s1
InChIKey KCTHYDYDNKJILM-KRYANYIQSA-N
Mol Weight 333.43 g/mol
Molecular Formula C19H27NO4
Exact Mass 333.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZ7mNNYdq4Y
Name Spiro[cyclohexane-1,7'(1'H)-cyclopent[ij]isoquinoline]-4,6'-diol, 2',3',8',8'a-tetrahydro-3,5'-dimethoxy-1'-methyl-, [1R-[1.alpha.(S*),3.beta.,4.beta.]]-
CAS Registry Number 112515-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO4
InChI InChI=1S/C19H27NO4/c1-20-7-5-11-8-14(23-2)18(22)17-16(11)12(20)9-19(17)6-4-13(21)15(10-19)24-3/h8,12-13,15,21-22H,4-7,9-10H2,1-3H3/t12?,13-,15+,19+/m0/s1
InChIKey KCTHYDYDNKJILM-KRYANYIQSA-N
Molecular Weight 333.428 g/mol
SMILES O[C@@]1([C@@](C[C@]2(CC3c4c2c(c(cc4CCN3C)OC)O)CC1)(OC)[H])[H]
SPLASH splash10-001i-0039000000-8e2103f9820c17a28063
Source of Spectrum F-43-1770-11
Synonyms (-)-.alpha.-Roemehybrine (1R,4S,5R)-5,10'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0(4,12)]dodecane]-1'(11'),8'(12'),9'-triene-4,11'-diol
Wiley ID 1330291