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Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-7-(hydroxymethyl)-5-[4-(phenylmethoxy)phenyl]-, ethyl ester, (5.alpha.,6.beta.,7.alpha.)-
SpectraBase Compound ID EM9evg4G82F
InChI InChI=1S/C28H28O6/c1-2-31-28(30)27-21(15-29)12-20-13-24-25(34-17-33-24)14-23(20)26(27)19-8-10-22(11-9-19)32-16-18-6-4-3-5-7-18/h3-11,13-14,21,26-27,29H,2,12,15-17H2,1H3/t21-,26-,27-/m1/s1
InChIKey IAAUOMXMNWWDPQ-SACAOSOOSA-N
Mol Weight 460.53 g/mol
Molecular Formula C28H28O6
Exact Mass 460.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5UZjQZmBDt
Name Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-7-(hydroxymethyl)-5-[4-(phenylmethoxy)phenyl]-, ethyl ester, (5.alpha.,6.beta.,7.alpha.)-
CAS Registry Number 73583-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O6
InChI InChI=1S/C28H28O6/c1-2-31-28(30)27-21(15-29)12-20-13-24-25(34-17-33-24)14-23(20)26(27)19-8-10-22(11-9-19)32-16-18-6-4-3-5-7-18/h3-11,13-14,21,26-27,29H,2,12,15-17H2,1H3/t21-,26-,27-/m1/s1
InChIKey IAAUOMXMNWWDPQ-SACAOSOOSA-N
Molecular Weight 460.526 g/mol
SMILES OC[C@]1(Cc2c([C@]([C@@]1(C(=O)OCC)[H])(c1ccc(OCc3ccccc3)cc1)[H])cc1c(OCO1)c2)[H]
SPLASH splash10-03dr-0043900000-831e304a948bff5b862f
Source of Spectrum F-35-1671-0
Synonyms Ethyl (5R,6S,7S)-5-[4-(benzyloxy)phenyl]-7-(hydroxymethyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate trans,trans-ethyl-1-(p-benzyloxphenyl)-3-hydroxymethyl-6,7-methylenedioxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
Wiley ID 1390576