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Spiro[2H-1-benzopyran-2,3'-bicyclo[3.2.0]heptane]-6,8-dimethanol, 3,4-dihydro-5,7-dimethoxy-2',2'-dimethyl-4-(2-methylpropyl)-, [1'.alpha.,3'.alpha.,3'(R*),5'.alpha.]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

Spiro[2H-1-benzopyran-2,3'-bicyclo[3.2.0]heptane]-6,8-dimethanol, 3,4-dihydro-5,7-dimethoxy-2',2'-dimethyl-4-(2-methylpropyl)-, [1'.alpha.,3'.alpha.,3'(R*),5'.alpha.]-(.+-.)-
SpectraBase Compound ID 6AlTdiyAvpi
InChI InChI=1S/C25H38O5/c1-14(2)11-20-15-7-8-19(15)24(3,4)25(20)10-9-16-21(28-5)17(12-26)22(29-6)18(13-27)23(16)30-25/h14-15,19-20,26-27H,7-13H2,1-6H3/t15-,19+,20?,25-/m1/s1
InChIKey CEPKLFVZOZCFPX-IXYKQRCSSA-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 xZYKGml2NM
Name Spiro[2H-1-benzopyran-2,3'-bicyclo[3.2.0]heptane]-6,8-dimethanol, 3,4-dihydro-5,7-dimethoxy-2',2'-dimethyl-4-(2-methylpropyl)-, [1'.alpha.,3'.alpha.,3'(R*),5'.alpha.]-(.+-.)-
CAS Registry Number 114925-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-14(2)11-20-15-7-8-19(15)24(3,4)25(20)10-9-16-21(28-5)17(12-26)22(29-6)18(13-27)23(16)30-25/h14-15,19-20,26-27H,7-13H2,1-6H3/t15-,19+,20?,25-/m1/s1
InChIKey CEPKLFVZOZCFPX-IXYKQRCSSA-N
Molecular Weight 418.574 g/mol
SMILES OCc1c(c2CC[C@]3(Oc2c(CO)c1OC)C([C@]1(CC[C@]1(C3CC(C)C)[H])[H])(C)C)OC
SPLASH splash10-02tc-3059300000-de1b630ae0d1270886a9
Source of Spectrum J-53-3680-23
Synonyms (1'R,2R,5'S)-8-(hydroxymethyl)-5,7-dimethoxy-4',4'-dimethyl-2'-(2-methylpropyl)-3,4-dihydrospiro[1-benzopyran-2,3'-bicyclo[3.2.0]heptane]-6-ylmethanol
Wiley ID 1377324