Dataset

Gossypol 600 MHz CDCl3 DMSOd6 NMR data.hmbc

NMR data of gossypol in DMSOd6 and CDCl3. The dataset contains 1D 1H 13C as well as 2D COSY, HSQC, HMBC, all acquired at 600MHz (Bruker 600MHz spectrometer with CryoProbe (CP DCH 600S3 C/H-D-05 Z) (2019-10-06)

https://doi.org/10.7910/DVN/5F7II0, Harvard Dataverse, V1

Chemical Info

molecular Image
InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
SMILES CC1=CC2=C(C(O)=C1C1=C(O)C3=C(C=C1C)C(C(C)C)=C(O)C(O)=C3C=O)C(C=O)=C(O)C(O)=C2C(C)C
InChI Key QBKSWRVVCFFDOT-UHFFFAOYSA-N
Molecular Formula C30H30O8
Exact Mass 518.600 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s213.d1142
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D1142
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataCreated 2024-04-22T17:01:33.769857
MetadataModified 2024-04-22T17:01:33.769862
MetadataPublished 2023-12-21 14:26:13
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables

acquisition nucleus : 1H , 13C

Temperature : 289.4043 K

irradiation frequency : 600.15 MHz , 150.907838 MHz

magnetic field strength : 14.09548007284277 Tesla

number of scans : 8 scans

Spectral Width : 17.0024245648835 , 219.400610949522

number of data points : [2048, 256] points

relaxation time measurement : 1 seconds