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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.beta.,7.alpha.)-(.+-.)-
SpectraBase Compound ID BLBq2TOPM0i
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-/m1/s1
InChIKey HPOPIUOLSYVJLM-ROSOWXQZSA-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 64vChVZfWUv
Name Naphtho[2,3-d]-1,3-dioxole-6,7-dimethanol, 5,6,7,8-tetrahydro-5-[4-(phenylmethoxy)phenyl]-, (5.alpha.,6.beta.,7.alpha.)-(.+-.)-
CAS Registry Number 72011-47-3
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-/m1/s1
InChIKey HPOPIUOLSYVJLM-ROSOWXQZSA-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-0016900000-fbee299d69d2a1ff68c5
Source of Spectrum F-35-1671-0
Synonyms trans,trans-1-(p-benzyloxyphenyl)-2,3-bis-hydroxymethyl-6,7-methylenedioxy-1,2,3,4-tetrahydronaphthalene [(5R,6S,7S)-5-[4-(benzyloxy)phenyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-yl]methanol
Wiley ID 1377359