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

*Links on SpectraBase are not permalinks.

Coprostan-3.beta.,16.beta.-diol dibenzoate

View entire compound with spectra: 1 NMR

Coprostan-3.beta.,16.beta.-diol dibenzoate
SpectraBase Compound ID 40MbVELtlfN
InChI InChI=1S/C41H56O4/c1-27(2)13-12-14-28(3)37-36(45-39(43)30-17-10-7-11-18-30)26-35-33-20-19-31-25-32(44-38(42)29-15-8-6-9-16-29)21-23-40(31,4)34(33)22-24-41(35,37)5/h6-11,15-18,27-28,31-37H,12-14,19-26H2,1-5H3
InChIKey OHUYDSDLQSRQKA-UHFFFAOYSA-N
Mol Weight 612.9 g/mol
Molecular Formula C41H56O4
Exact Mass 612.41786 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 XCN6z0GWNE
Name Coprostan-3.beta.,16.beta.-diol dibenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.417860279 u
Formula C41H56O4
InChI InChI=1S/C41H56O4/c1-27(2)13-12-14-28(3)37-36(45-39(43)30-17-10-7-11-18-30)26-35-33-20-19-31-25-32(44-38(42)29-15-8-6-9-16-29)21-23-40(31,4)34(33)22-24-41(35,37)5/h6-11,15-18,27-28,31-37H,12-14,19-26H2,1-5H3
InChIKey OHUYDSDLQSRQKA-UHFFFAOYSA-N
Molecular Weight 612.895 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC(C2C(C)CCCC(C)C)OC(C1=CC=CC=C1)=O)C)C)OC(=O)C1=CC=CC=C1