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1H-Inden-1-one, 5-(2,6-dimethoxyphenyl)-2,3,3a,4,7,7a-hexahydro-3a-methoxy-7a-methyl-
SpectraBase Compound ID HABojXiaqEo
InChI InChI=1S/C19H24O4/c1-18-10-8-13(12-19(18,23-4)11-9-16(18)20)17-14(21-2)6-5-7-15(17)22-3/h5-8H,9-12H2,1-4H3/t18-,19+/m1/s1
InChIKey IPNBSJJEGHHTLW-MOPGFXCFSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A68NoPbPkQd
Name 1H-Inden-1-one, 5-(2,6-dimethoxyphenyl)-2,3,3a,4,7,7a-hexahydro-3a-methoxy-7a-methyl-
CAS Registry Number 85173-30-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-18-10-8-13(12-19(18,23-4)11-9-16(18)20)17-14(21-2)6-5-7-15(17)22-3/h5-8H,9-12H2,1-4H3/t18-,19+/m1/s1
InChIKey IPNBSJJEGHHTLW-MOPGFXCFSA-N
Molecular Weight 316.397 g/mol
SMILES [C@@]12([C@@](CC(=CC2)c2c(OC)cccc2OC)(CCC1=O)OC)C
SPLASH splash10-004l-0903000000-812cf2373b54065b1475
Source of Spectrum KC-1982-2793-0
Synonyms (3aS,7aS)-5-(2,6-dimethoxyphenyl)-3a-methoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-one 1,5,14.beta.-trimethoxy-5,8-seco-6,7-dinorestra-1,3,5(10),9(11)-tetraen-17-one
Wiley ID 1316909