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

*Links on SpectraBase are not permalinks.

Estradiol 3-pentaacetyl glucouate

View entire compound with spectra: 1 NMR

Estradiol 3-pentaacetyl glucouate
SpectraBase Compound ID E2ToFa23dO3
InChI InChI=1S/C34H44O13/c1-17(35)42-16-28(43-18(2)36)30(44-19(3)37)31(45-20(4)38)32(46-21(5)39)33(41)47-23-8-10-24-22(15-23)7-9-26-25(24)13-14-34(6)27(26)11-12-29(34)40/h8,10,15,25-32,40H,7,9,11-14,16H2,1-6H3
InChIKey UEIZQHMLBLKMME-UHFFFAOYSA-N
Mol Weight 660.7 g/mol
Molecular Formula C34H44O13
Exact Mass 660.278191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 3wvEd0NWMj4
Name Estradiol 3-pentaacetyl glucouate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 660.278191464 u
Formula C34H44O13
InChI InChI=1S/C34H44O13/c1-17(35)42-16-28(43-18(2)36)30(44-19(3)37)31(45-20(4)38)32(46-21(5)39)33(41)47-23-8-10-24-22(15-23)7-9-26-25(24)13-14-34(6)27(26)11-12-29(34)40/h8,10,15,25-32,40H,7,9,11-14,16H2,1-6H3
InChIKey UEIZQHMLBLKMME-UHFFFAOYSA-N
Molecular Weight 660.713 g/mol
SMILES C1CC(O)C2(C1C1C(C3=C(CC1)C=C(OC(C(C(C(C(COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)=O)C=C3)CC2)C