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(Z)-cyclopentadecen-1-one 1,4-di-o-benzyl-d-threitol ketal
SpectraBase Compound ID Ah4nXGqYSl0
InChI InChI=1S/C33H46O4/c1-2-4-6-8-10-18-24-33(23-17-9-7-5-3-1)36-31(27-34-25-29-19-13-11-14-20-29)32(37-33)28-35-26-30-21-15-12-16-22-30/h11-17,19-23,31-32H,1-10,18,24-28H2/b23-17-/t31-,32-/m0/s1
InChIKey HXHDCBKRCDSRNP-QGAMVUEQSA-N
Mol Weight 506.7 g/mol
Molecular Formula C33H46O4
Exact Mass 506.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJhffsBwCmU
Name (Z)-cyclopentadecen-1-one 1,4-di-o-benzyl-d-threitol ketal
Alternate Name(s) (2S,3S)-2,3-bis[(benzyloxy)methyl]-1,4-dioxaspiro[4.14]nonadec-6-ene
CAS Registry Number 102572-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H46O4
InChI InChI=1S/C33H46O4/c1-2-4-6-8-10-18-24-33(23-17-9-7-5-3-1)36-31(27-34-25-29-19-13-11-14-20-29)32(37-33)28-35-26-30-21-15-12-16-22-30/h11-17,19-23,31-32H,1-10,18,24-28H2/b23-17-/t31-,32-/m0/s1
InChIKey HXHDCBKRCDSRNP-QGAMVUEQSA-N
Molecular Weight 506.727 g/mol
SMILES C12(O[C@@](COCc3ccccc3)([C@@](O1)(COCc1ccccc1)[H])[H])\C=C/CCCCCCCCCCCC2
SPLASH splash10-0006-9000000000-3a058900f6471de35805
Source of Spectrum J-51-2723-0
Wiley ID 1399947