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(3S,4S,9S,10S)-3,4-dimethoxy-9,10-bis(phenylmethoxy)cyclododeca-7,11-diyne-1,6-diol
SpectraBase Compound ID 7zOXtt8ZGVa
InChI InChI=1S/C28H32O6/c1-31-27-17-23(29)13-15-25(33-19-21-9-5-3-6-10-21)26(16-14-24(30)18-28(27)32-2)34-20-22-11-7-4-8-12-22/h3-12,23-30H,17-20H2,1-2H3/t23?,24?,25-,26-,27-,28-/m0/s1
InChIKey BPRSXTCGJDFAJW-AVTNHXHSSA-N
Mol Weight 464.6 g/mol
Molecular Formula C28H32O6
Exact Mass 464.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1u8AK8WhVeX
Name (3S,4S,9S,10S)-3,4-dimethoxy-9,10-bis(phenylmethoxy)cyclododeca-7,11-diyne-1,6-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O6
InChI InChI=1S/C28H32O6/c1-31-27-17-23(29)13-15-25(33-19-21-9-5-3-6-10-21)26(16-14-24(30)18-28(27)32-2)34-20-22-11-7-4-8-12-22/h3-12,23-30H,17-20H2,1-2H3/t23?,24?,25-,26-,27-,28-/m0/s1
InChIKey BPRSXTCGJDFAJW-AVTNHXHSSA-N
Molecular Weight 464.558 g/mol
SMILES OC1C[C@@]([C@](CC(C#C[C@@]([C@](C#C1)(OCc1ccccc1)[H])(OCc1ccccc1)[H])O)(OC)[H])(OC)[H]
SPLASH splash10-0006-9000000000-155b17750b2af24d1dec
Source of Spectrum KC-0-743-34
Synonyms (3S,4S,9S,10S)-9,10-dibenzoxy-3,4-dimethoxy-cyclododeca-7,11-diyne-1,6-diol (3S,4S,9S,10S)-9,10-dibenzyloxy-3,4-dimethoxy-cyclododeca-7,11-diyne-1,6-diol
Wiley ID 830079