[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate

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Molecule

[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate

Chemical Information

7 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

fast-atom bombardment mass spectrometry (FABMS)

high resolution fast-atom bombardment mass spectrometry (HRFABMS)

infrared absorption spectroscopy (IR)

single crystal X-ray diffraction (single-crystal X-ray diffraction)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol4499
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
11226840	PubChem
28326461	eMolecules
SCHEMBL1358250	SureChEMBL
16310132	PubChem: Thomson Pharma
TUPCUD	CCDC
ZINC000118928473	ZINC
The data in this table is sourced from UniChem at EBI.