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Naphtho[2,3-d]-1,3-dioxole-6,7-dimethanol, 5,6,7,8-tetrahydro-5-[4-(phenylmethoxy)phenyl]-, (5.alpha.,6.alpha.,7.alpha.)-
SpectraBase Compound ID 6jg3ly051CS
InChI InChI=1S/C26H26O5/c27-13-20-10-19-11-24-25(31-16-30-24)12-22(19)26(23(20)14-28)18-6-8-21(9-7-18)29-15-17-4-2-1-3-5-17/h1-9,11-12,20,23,26-28H,10,13-16H2/t20-,23+,26-/m0/s1
InChIKey HPOPIUOLSYVJLM-CLLDFNAGSA-N
Mol Weight 418.49 g/mol
Molecular Formula C26H26O5
Exact Mass 418.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LurEtkdMAGm
Name Naphtho[2,3-d]-1,3-dioxole-6,7-dimethanol, 5,6,7,8-tetrahydro-5-[4-(phenylmethoxy)phenyl]-, (5.alpha.,6.alpha.,7.alpha.)-
Alternate Name(s) cis,cis-1-(p-benzyloxyphenyl)-2,3-bishydroxymethyl-6.7-methylenedioxy-1.2,3,4-tetrahydronaphthalene [(5S,6S,7R)-5-[4-(benzyloxy)phenyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl]methanol
CAS Registry Number 73610-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O5
InChI InChI=1S/C26H26O5/c27-13-20-10-19-11-24-25(31-16-30-24)12-22(19)26(23(20)14-28)18-6-8-21(9-7-18)29-15-17-4-2-1-3-5-17/h1-9,11-12,20,23,26-28H,10,13-16H2/t20-,23+,26-/m0/s1
InChIKey HPOPIUOLSYVJLM-CLLDFNAGSA-N
Molecular Weight 418.489 g/mol
SMILES OC[C@@]1([C@](CO)(Cc2c([C@@]1(c1ccc(OCc3ccccc3)cc1)[H])cc1c(c2)OCO1)[H])[H]
SPLASH splash10-014i-0244900000-463e2a8e86e54b8f8762
Source of Spectrum F-35-1670-0
Wiley ID 1377358