Spektraris NMR
vouacapane-6alpha,7beta,17beta-triol
Common Name: vouacapane-6alpha,7beta,17beta-triol
Synonyms: vouacapane-6alpha,7beta,17beta-triol
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-18(2)7-5-8-19(3)12-10-13-11(6-9-24-13)20(4,23)14(12)15(21)16(22)17(18)19/h6,9,12,14-17,21-23H,5,7-8,10H2,1-4H3/t12-,14-,15+,16-,17-,19+,20+/m0/s1
InChIKey: InChIKey=ZPHXWEJBGVGOKG-NFKJIKJHSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Demuner, A.J., Barbosa, L.C.D., Veloso, D.P., Alves, D.L.F., Howarth, O.W. J Nat Prod (1996) 59, 770-2
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 149.17 |
| 2 (CH2) | 141.7 |
| 3 (CH2) | 125.51 |
| 4 (C) | 108.41 |
| 5 (CH) | 78.87 |
| 6 (CH) | 74.12 |
| 7 (CH) | 72.46 |
| 8 (CH) | 55.76 |
| 9 (CH) | 49.04 |
| 10 (C) | 47.38 |
| 11 (CH2) | 44.26 |
| 12 (C) | 40.18 |
| 13 (C) | 38.78 |
| 14 (C) | 37.3 |
| 15 (CH) | 33.9 |
| 16 (CH) | 26.64 |
| 17 (CH3) | 22.96 |
| 18 (CH3) | 22.91 |
| 19 (CH3) | 19 |
| 20 (CH3) | 16.17 |
