11-alpha-hydroxyprogesterone (C21H30O3)

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BMRB entry bmse000529

Entry DOI: doi:10.13018/BMSE000529
Data source: Madison Metabolomics Consortium - Francisca Jofre, Isabelle Jeacomine, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000529.str

NMR-STAR

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Structure file (mol/sdf):

bmse000529.mol

All files for

bmse000529

Time Domain Data:

bmse000529.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom IDAuthor NomenclatureValueAmbiguity Code
C17C455.8171
C21C544.6081
C15C635.4161
C19C759.4261
C20C840.4121
C11C950.8761
C16C1063.5951
C18C1169.2941
C7C1224.7111
C5C1334.0651
C6C1423.4121
C13C15171.4791
C3C1614.9781
C4C1732.0091
C9C1837.9731
C2C1918.7731
C12C20209.3231
C8C2134.6581
C10C22125.0151
C14C23200.7341
C1C2431.8461
H51H251.2614
H49H262.3764
H53H271.1394
H47H282.1904
H48H291.7294
H50H302.5691
H52H314.0401
H40H321.5344
H41H332.3764
H36H342.1904
H37H351.7294
H38H361.5344
H39H372.3764
H31H380.7031
H33H390.7031
H32H400.7031
H34H411.8544
H35H421.1394
H44H432.6832
H45H442.0262
H28H451.3261
H30H461.3261
H29H471.3261
H42H482.1904
H43H491.7294
H54H501.5344
H46H515.7391
H26H522.1421
H25H532.1421
H27H542.1421

NMR experiments

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

Array spectrum for 1
Download time domain data: bmse000529_1.zip

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

Array spectrum for 2
Download time domain data: bmse000529_2.zip

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

Array spectrum for 3
Download time domain data: bmse000529_3.zip

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

Array spectrum for 4
Download time domain data: bmse000529_4.zip

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

Array spectrum for 5
Download time domain data: bmse000529_5.zip

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

Array spectrum for 6
Download time domain data: bmse000529_6.zip

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

Array spectrum for 7
Download time domain data: bmse000529_7.zip

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

Array spectrum for 8
Download time domain data: bmse000529_8.zip