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Spiro[2H-1-benzopyran-2,2'-bicyclo[2.2.1]heptane]-6,8-dimethanol, 3,4-dihydro-5,7-dimethoxy-3',3'-dimethyl-4-(2-methylpropyl)-, [1'R-[1'.alpha.,2'.alpha.(R*),4'.alpha.]]-
SpectraBase Compound ID LjjR6PCsM3i
InChI InChI=1S/C25H38O5/c1-14(2)9-15-11-25(17-8-7-16(10-17)24(25,3)4)30-23-19(13-27)21(28-5)18(12-26)22(29-6)20(15)23/h14-17,26-27H,7-13H2,1-6H3/t15?,16-,17-,25-/m1/s1
InChIKey BCDQMMDUXJJINI-VXAYILFQSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LciWoZFEFys
Name Spiro[2H-1-benzopyran-2,2'-bicyclo[2.2.1]heptane]-6,8-dimethanol, 3,4-dihydro-5,7-dimethoxy-3',3'-dimethyl-4-(2-methylpropyl)-, [1'R-[1'.alpha.,2'.alpha.(R*),4'.alpha.]]-
CAS Registry Number 115014-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-14(2)9-15-11-25(17-8-7-16(10-17)24(25,3)4)30-23-19(13-27)21(28-5)18(12-26)22(29-6)20(15)23/h14-17,26-27H,7-13H2,1-6H3/t15?,16-,17-,25-/m1/s1
InChIKey BCDQMMDUXJJINI-VXAYILFQSA-N
Molecular Weight 418.574 g/mol
SMILES OCc1c(c2C(C[C@]3(Oc2c(CO)c1OC)C([C@@]1([H])C[C@]3(CC1)[H])(C)C)CC(C)C)OC
SPLASH splash10-03dl-4009000000-31314c6f260b5d90d22f
Source of Spectrum J-53-3687-34
Synonyms Spiro[2H-1-benzopyran-2,2'-bicyclo[2.2.1]heptane]-6,8-dimethanol, 3,4-dihydro-5,7-dimethoxy-3',3'-dimethyl-4-(2-methylpropyl)-, [1'R-[1'.alpha.,2'.beta.(R*),4'.alpha.]]- (1'R,2R,4'R)-8-(hydroxymethyl)-5,7-dimethoxy-3',3'-dimethyl-4-(2-methylpropyl)-3,4-dihydrospiro[1-benzopyran-2,2'-bicyclo[2.2.1]heptane]-6-ylmethanol
Wiley ID 1377327