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Spectral Data   Additional Data   Download  
Molecule
60002036
Chemical name(s)Hydroxysafflor yellow A; Safflomin A
Chemical formulaC27H32O16
Molecular weight612.534
Number of double bond equivalents (DBEs)12.0
Number of all rings, size of smallest set of smallest rings4, 4
Canonical name(s)
CAS-Number 78281-02-1
Additional information
Links from Unichem:
Molecule keywords
13C Spectrum
60001405 Rating: 5 (1: 1: nmrshiftdb2 quality check: reject (admin), 10: assignment correct (nes_www))
Type13C
Measurement conditions
Temperature [K]298
SolventDimethylsulphoxide-D6 (DMSO-D6, C2D6SO))
Field Strength [MHz]100.0
Assignment Method1H standard spectrum; H,H COSY; H,H NOESY; H,C HMQC/HSQC; H,C HMBC; 13C standard spectrum
Literature
Additional comments
nmrshiftdb2 quality report Download
Additional information
Spectrum categoriesChiuZ



Spectral Data   Additional Data   Download  
Type: 1H 400.0
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
10-H
11-H
12-H
18-H
20-H
21-H
26-H
38-H
39-H
40-H
41-H
44-H
1''''-H 3.64
1'''-H 4.20
2''''-H 3.32
2'''-H 4.13
2''-H 7.41
2'-H 7.40
3''''-H 3.08
3'''-H 3.11
3''-H 6.78
3'-H 7.29
4''''-H 2.88
4'''-H 3.04
5''''-H 2.94
5'''-H 3.03
5''-H 6.78
6''''-H 3.60, 3.32
6'''-H 3.59, 3.36
6''-H 7.41

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Spectral Data   Additional Data   Download  
Type: H,H-COSY 400.0
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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 400.0
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Spectral Data   Additional Data   Download  
Type: H,H-NOESY 400.0
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Spectral Data   Additional Data   Download  
Type: H,C-ed. HSQC 400.0
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