Adrenosterone (C19H24O3)

BMRB entry bmse000522

Entry DOI: doi:10.13018/BMSE000522
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

NMR-STAR

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Structure file (mol/sdf):

All files for

bmse000522

Time Domain Data:

Sample and instrument details are given with the spectrum

Set 1
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom ID	Author Nomenclature	Value	Ambiguity Code
C13	C4	36.301	1
C14	C5	49.810	1
C17	C6	63.321	1
C19	C7	38.313	4
C18	C8	38.313	4
C4	C9	35.962	4
C10	C10	50.412	1
C5	C11	21.578	1
C15	C12	199.486	1
C11	C13	167.848	1
C3	C14	34.715	4
C16	C15	216.813	1
C6	C16	33.706	4
C8	C17	31.993	4
C2	C18	14.680	1
C1	C19	17.308	1
C7	C20	30.921	4
C9	C21	124.822	1
C12	C22	207.538	1
H44	H23	2.772	4
H45	H24	2.581	4
H46	H25	2.482	4
H31	H26	2.312	4
H32	H27	2.113	4
H42	H28	1.907	4
H43	H29	1.672	4
H33	H30	1.318	4
H34	H31	2.772	4
H29	H32	2.581	4
H30	H33	2.482	4
H35	H34	2.312	4
H36	H35	2.113	4
H39	H36	1.907	4
H40	H37	1.672	4
H27	H38	0.886	1
H26	H39	0.886	1
H28	H40	0.886	1
H23	H41	1.438	1
H25	H42	1.438	1
H24	H43	1.438	1
H37	H44	1.318	4
H38	H45	2.772	4
H41	H46	5.747	1

1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000522_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000522_2.zip

3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000522_3.zip

4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000522_4.zip

5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000522_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000522_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000522_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000522_8.zip