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1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-.alpha.,.alpha.'-bis[4-[(tetrahydro-2H-pyran-2-yl)oxy]-2-butynyl]-, dibenzoate, [4R-[4.alpha.(S*),5.beta.(S*)]]-
SpectraBase Compound ID L0gBvMjNWQ8
InChI InChI=1S/C39H46O10/c1-39(2)48-35(31(46-37(40)29-17-5-3-6-18-29)21-9-13-25-42-33-23-11-15-27-44-33)36(49-39)32(47-38(41)30-19-7-4-8-20-30)22-10-14-26-43-34-24-12-16-28-45-34/h3-8,17-20,31-36H,11-12,15-16,21-28H2,1-2H3/t31?,32?,33-,34-,35-,36-/m1/s1
InChIKey FLAAQHJKSUOERJ-MRFXAFHJSA-N
Mol Weight 674.8 g/mol
Molecular Formula C39H46O10
Exact Mass 674.309098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSVgd5noyXZ
Name 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-.alpha.,.alpha.'-bis[4-[(tetrahydro-2H-pyran-2-yl)oxy]-2-butynyl]-, dibenzoate, [4R-[4.alpha.(S*),5.beta.(S*)]]-
CAS Registry Number 121525-70-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H46O10
InChI InChI=1S/C39H46O10/c1-39(2)48-35(31(46-37(40)29-17-5-3-6-18-29)21-9-13-25-42-33-23-11-15-27-44-33)36(49-39)32(47-38(41)30-19-7-4-8-20-30)22-10-14-26-43-34-24-12-16-28-45-34/h3-8,17-20,31-36H,11-12,15-16,21-28H2,1-2H3/t31?,32?,33-,34-,35-,36-/m1/s1
InChIKey FLAAQHJKSUOERJ-MRFXAFHJSA-N
Molecular Weight 674.787 g/mol
SMILES [C@@]1([C@](OC(O1)(C)C)(C(OC(=O)c1ccccc1)CC#CCO[C@@]1(OCCCC1)[H])[H])(C(OC(=O)c1ccccc1)CC#CCO[C@@]1(OCCCC1)[H])[H]
SPLASH splash10-0a6r-4900000000-8d68849a97b72122a778
Source of Spectrum F-45-7322-2
Synonyms 1-((4R,5R)-5-{1-(benzoyloxy)-5-[(2S)-tetrahydro-2H-pyran-2-yloxy]-3-pentynyl}-2,2-dimethyl-1,3-dioxolan-4-yl)-5-[(2S)-tetrahydro-2H-pyran-2-yloxy]-3-pentynyl benzoate 5(S),8(S)-dibenzoyloxy-1,12-ditetrahydropyranyloxy-6(R),7(R)-O-methylethyldene-2,10 dodeca-diyn-6,7 diol
Wiley ID 1414102