Spektraris NMR
vouacapane-6alpha,7beta,17beta,19-tetraol
Common Name: vouacapane-6alpha,7beta,17beta,19-tetraol
Synonyms: vouacapane-6alpha,7beta,17beta,19-tetraol
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-18(10-21)6-4-7-19(2)12-9-13-11(5-8-25-13)20(3,24)14(12)15(22)16(23)17(18)19/h5,8,12,14-17,21-24H,4,6-7,9-10H2,1-3H3/t12-,14-,15+,16-,17-,18+,19+,20+/m0/s1
InChIKey: InChIKey=QNPNAWLXZOMOPO-ZBAXNBQHSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 148.94 |
| 2 (CH2) | 141.72 |
| 3 (CH2) | 125.71 |
| 4 (C) | 108.73 |
| 5 (CH) | 78.36 |
| 6 (CH) | 74.21 |
| 7 (CH) | 72.39 |
| 8 (CH) | 66.49 |
| 9 (CH) | 56.08 |
| 10 (C) | 49.2 |
| 11 (CH2) | 47.59 |
| 12 (C) | 40.26 |
| 13 (C) | 39.29 |
| 14 (C) | 39.25 |
| 15 (CH) | 38.16 |
| 16 (CH) | 32.15 |
| 17 (CH3) | 26.94 |
| 18 (CH3) | 23.03 |
| 19 (CH2) | 18.82 |
| 20 (CH3) | 16.98 |
