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(+)-(1S,2S,3'S,6S,7R,8S)-2-(4'-BENZYLOXY-3'-METHYLBUTANOYL)-7-HYDROXY-8-ISOPROPYL-1-METHYLBICYCLO-[4.4.0]-DECAN-4-ONE
SpectraBase Compound ID GmwzVppt9wh
InChI InChI=1S/C26H38O4/c1-17(2)21-10-11-26(4)22(13-20(27)14-23(26)25(21)29)24(28)12-18(3)15-30-16-19-8-6-5-7-9-19/h5-9,17-18,21-23,25,29H,10-16H2,1-4H3/t18-,21-,22+,23+,25+,26+/m0/s1
InChIKey MVNMWFNLSYNZLU-PLYFBUOFSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uOBsYGvsBQ
Name (4S,4aS,7S,8R,8aS)-4-[(3S)-4-benzoxy-3-methyl-butanoyl]-8-hydroxy-7-isopropyl-4a-methyl-decalin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O4
InChI InChI=1S/C26H38O4/c1-17(2)21-10-11-26(4)22(13-20(27)14-23(26)25(21)29)24(28)12-18(3)15-30-16-19-8-6-5-7-9-19/h5-9,17-18,21-23,25,29H,10-16H2,1-4H3/t18-,21-,22+,23+,25+,26+/m0/s1
InChIKey MVNMWFNLSYNZLU-PLYFBUOFSA-N
Molecular Weight 414.586 g/mol
SMILES O[C@]1([C@@]2([C@@]([C@@](C(C[C@@](COCc3ccccc3)(C)[H])=O)(CC(=O)C2)[H])(CC[C@]1(C(C)C)[H])C)[H])[H]
SPLASH splash10-0006-9000000000-4285e2dd49d2f6a26d0c
Source of Spectrum AH-125-1009-25
Synonyms (4S,4aS,7S,8R,8aS)-4-[(3S)-4-benzyloxy-3-methyl-butanoyl]-8-hydroxy-7-isopropyl-4a-methyl-decalin-2-one (4S,4aS,7S,8R,8aS)-4a-methyl-4-[(3S)-3-methyl-4-phenylmethoxy-butanoyl]-8-oxidanyl-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one (4S,4aS,7S,8R,8aS)-8-hydroxy-4a-methyl-4-[(3S)-3-methyl-1-oxo-4-phenylmethoxybutyl]-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one (4S,4aS,7S,8R,8aS)-8-hydroxy-4a-methyl-4-[(3S)-3-methyl-4-phenylmethoxybutanoyl]-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
Wiley ID 1375629