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(3aR,4S,5S,6S,7aR)-4-benzoxy-6-(benzoxymethyl)spiro[4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5,6-diol
SpectraBase Compound ID 6czKQlEkI67
InChI InChI=1S/C27H34O6/c28-25-24(31-18-21-12-6-2-7-13-21)23-22(32-27(33-23)14-8-3-9-15-27)16-26(25,29)19-30-17-20-10-4-1-5-11-20/h1-2,4-7,10-13,22-25,28-29H,3,8-9,14-19H2/t22-,23-,24-,25+,26+/m1/s1
InChIKey JEBSBVMYGSGCQW-OYHZZYGJSA-N
Mol Weight 454.6 g/mol
Molecular Formula C27H34O6
Exact Mass 454.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8p521YMNoLw
Name (3aR,4S,5S,6S,7aR)-4-benzoxy-6-(benzoxymethyl)spiro[4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5,6-diol
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Formula C27H34O6
InChI InChI=1S/C27H34O6/c28-25-24(31-18-21-12-6-2-7-13-21)23-22(32-27(33-23)14-8-3-9-15-27)16-26(25,29)19-30-17-20-10-4-1-5-11-20/h1-2,4-7,10-13,22-25,28-29H,3,8-9,14-19H2/t22-,23-,24-,25+,26+/m1/s1
InChIKey JEBSBVMYGSGCQW-OYHZZYGJSA-N
Molecular Weight 454.563 g/mol
SMILES O[C@]1([C@@]([C@]2([C@@](C[C@]1(O)COCc1ccccc1)(OC1(O2)CCCCC1)[H])[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0bt9-9000700000-6f2ab8a186432be2faa6
Source of Spectrum J-61-8474-8
Synonyms (3aR,4S,5S,6S,7aR)-4-benzyloxy-6-(benzyloxymethyl)spiro[4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5,6-diol (3aR,4S,5S,6S,7aR)-4-phenylmethoxy-6-(phenylmethoxymethyl)spiro[4,5,7,7a-tetrahydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5,6-diol
Wiley ID 1388813