For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3-Benzodioxole-5-methanol, .alpha.-[4-(1,3-benzodioxol-5-ylmethyl)tetrahydro-3-furanyl]-, acetate, [3.alpha.(S*),4.beta.]-
SpectraBase Compound ID 6wTjkFiPnTb
InChI InChI=1S/C22H22O7/c23-22(25-9-15-2-4-19-21(7-15)29-13-27-19)8-17-11-24-10-16(17)5-14-1-3-18-20(6-14)28-12-26-18/h1-4,6-7,16-17H,5,8-13H2/t16-,17-/m0/s1
InChIKey OHEZXSJTAVEKIH-IRXDYDNUSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2uaDfPyZwcl
Name 1,3-Benzodioxole-5-methanol, .alpha.-[4-(1,3-benzodioxol-5-ylmethyl)tetrahydro-3-furanyl]-, acetate, [3.alpha.(S*),4.beta.]-
Alternate Name(s) 1,3-benzodioxol-5-ylmethyl[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)tetrahydro-3-furanyl]acetate 3-[(1'-Acetoxy)-1'-{(1,3)benzodioxol-5-yl}methyl]-4-[((1,3)benzodioxol-5-yl}methyl]-2,3,4,5-tetrahydrofuran
CAS Registry Number 133494-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c23-22(25-9-15-2-4-19-21(7-15)29-13-27-19)8-17-11-24-10-16(17)5-14-1-3-18-20(6-14)28-12-26-18/h1-4,6-7,16-17H,5,8-13H2/t16-,17-/m0/s1
InChIKey OHEZXSJTAVEKIH-IRXDYDNUSA-N
Molecular Weight 398.411 g/mol
SMILES c12c(OCO2)ccc(C[C@@]2([C@@](CC(=O)OCc3cc4OCOc4cc3)(COC2)[H])[H])c1
SPLASH splash10-0f79-0901000000-0d8f140ebeaef5f6998b
Source of Spectrum F-47-1282-8
Wiley ID 1368397