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Spectral Data   Additional Data   Download  
Chemical name(s)11-hydroxy vulgarisane
Chemical formulaC20H34O
Molecular weight290.484
Number of double bond equivalents (DBEs)4.0
Number of all rings, size of smallest set of smallest rings10, 4
Canonical name(s)
Additional information
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Molecule keywords
13C Spectrum
60003800 Rating: 6 (6: 6: nmrshiftdb2 quality check: accept/reliability: mediocre (admin))
Measurement conditions
Temperature [K]298
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]125.0
Assignment Method1H, 13C, COSY, HSQC, HMBC, NOESY
Literature Sean R. Johnson; Wajid Waheed Bhat; Radin Sadre; Garret P. Miller; Alekzander Sky Garcia; Björn Hamberger: Promiscuous terpene synthases from Prunella vulgaris highlight the importance of substrate and compartment switching in terpene synthase evolution, in: unpublished, vol. ?, pp. ? - ?
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Spectrum categories

Spectral Data   Additional Data   Download  
Type: 1H 500.0
No. ⇓
Mult.(coupling const.)
1-H 1.02
1-H 1.70 (H 1)
12-H 1.31, 1.44
13-H 1.35, 1.58
14-H 1.46
15-H 0.95
16-H 0.87
17-H 1.07
18-H 1.65
19-H 0.96
2-H 2.38 (H 2)
20-H 0.89
3-H 1.81
4-H 1.30, 1.67
5-H 1.44, 1.65
6-H 2.20 (H 6)
8-H 1.17, 1.53
9-H 1.58, 1.81

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