Dataset

two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)

Chemical Info

InChI	InChI=1S/C30H38O4/c1-28-13-10-23(33-18-20-6-4-3-5-7-20)17-22(28)8-9-26-25(28)11-14-29(2)24(12-15-30(26,29)32)21-16-27(31)34-19-21/h3-7,12,16,22-23,25-26,32H,8-11,13-15,17-19H2,1-2H3/t22-,23-,25-,26+,28-,29+,30-/m0/s1
SMILES	O=C1OCC(=C1)C1=CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)OCc1ccccc1)O
InChI Key	RPSOUIUISVVWAN-ZKJSLFQJSA-N
Molecular Formula	C30H38O4
Exact Mass	462.620 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RPSOUIUISVVWAN-ZKJSLFQJSA-N/CHMO0000598.1
License URL
Source	https://www.chemotion-repository.net/inchikey/RPSOUIUISVVWAN-ZKJSLFQJSA-N/CHMO0000598.1
Version
Author	Sarah Al Muthafer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:49:01.298609
MetadataModified	2024-09-07T23:37:49.283144
MetadataPublished	2022-10-11

Field	Value
Measurement Technique	two-dimensional nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
165369099	PubChem
The data in this table is sourced from UniChem at EBI.