Dataset

4-6[1]

Chemical Information

InChI	InChI=1S/C29H46O.2C29H44O.C2H6/c3*1-18(2)20-9-8-19-12-16-28(6)21(25(19)20)10-11-23-27(5)15-14-24(30)26(3,4)22(27)13-17-29(23,28)7;1-2/h18,20-23H,8-17H2,1-7H3;12,20-23,25H,1,8-11,13-17H2,2-7H3;8,20-23,25H,1,9-17H2,2-7H3;1-2H3/t20?,21-,22+,23-,27+,28-,29-;2*20?,21-,22+,23-,25-,27+,28-,29-;/m111./s1
SMILES	C=C(C)C1CC=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]21.C=C(C)C1CCC2=CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]21.CC.CC(C)C1CCC2=C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
InChI Key	YWNAEMSPSITUMP-MULPNESJSA-N

Data and Resources

• 4-6[1]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p150.s1509.d6642
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6642
Version
Author
Maintainer
Language	english
MetadataPublished	2025-11-20T10:19:11.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z108618_0647 (PA BBO 400S1 BBF-H-D-05 Z) Temperature : 298.2343 K magnetic field strength : 9.397691291560301 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 16.978067386969 number of data points : 27172 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.