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

*Links on SpectraBase are not permalinks.

Tetrahydrosarsasapogenin tribenzoate

View entire compound with spectra: 1 NMR

Tetrahydrosarsasapogenin tribenzoate
SpectraBase Compound ID CinlHdxGTcL
InChI InChI=1S/C48H60O6/c1-32(31-52-44(49)34-17-8-5-9-18-34)15-14-16-33(2)43-42(54-46(51)36-21-12-7-13-22-36)30-41-39-24-23-37-29-38(53-45(50)35-19-10-6-11-20-35)25-27-47(37,3)40(39)26-28-48(41,43)4/h5-13,17-22,32-33,37-43H,14-16,23-31H2,1-4H3
InChIKey FCEYVPXLYBGOLU-UHFFFAOYSA-N
Mol Weight 733.0 g/mol
Molecular Formula C48H60O6
Exact Mass 732.43899 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 J0ibYCuCVLg
Name Tetrahydrosarsasapogenin tribenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 732.438989646 u
Formula C48H60O6
InChI InChI=1S/C48H60O6/c1-32(31-52-44(49)34-17-8-5-9-18-34)15-14-16-33(2)43-42(54-46(51)36-21-12-7-13-22-36)30-41-39-24-23-37-29-38(53-45(50)35-19-10-6-11-20-35)25-27-47(37,3)40(39)26-28-48(41,43)4/h5-13,17-22,32-33,37-43H,14-16,23-31H2,1-4H3
InChIKey FCEYVPXLYBGOLU-UHFFFAOYSA-N
SMILES C1=CC=CC=C1C(=O)OC1C(C2(C)CCC3C4(C)CCC(OC(C=5C=CC=CC5)=O)CC4CCC3C2C1)C(CCCC(COC(C=1C=CC=CC1)=O)C)C