Spektraris NMR
3beta,6alpha-Diacetoxyvouacapane
Common Name: 3beta,6alpha-Diacetoxyvouacapane
Synonyms: 3beta,6alpha-Diacetoxyvouacapane
CAS Registry Number:
InChI: InChI=1S/C24H34O5/c1-13-16-8-10-27-19(16)12-18-17(13)11-20(28-14(2)25)22-23(4,5)21(29-15(3)26)7-9-24(18,22)6/h8,10,13,17-18,20-22H,7,9,11-12H2,1-6H3/t13-,17-,18-,20-,21-,22-,24+/m0/s1
InChIKey: InChIKey=ZWHODPRQDJDKOK-TXQNHOLUSA-N
Formula: C24H34O5
Molecular Weight: 402.524672
Exact Mass: 402.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mendes, F.N.P., Silveira, E.R. Phytochemistry (1994) 35, 1499-503
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) | 37.3 |
| 2 (CH2) | 23.3 |
| 3 (CH) | 80.5 |
| 4 (C) | 37.5 |
| 5 (CH) | 57.2 |
| 6 (CH) | 71.8 |
| 7 (CH2) | 38.9 |
| 8 (CH) | 35.1 |
| 9 (CH) | 44.6 |
| 10 (C) | 37.5 |
| 11 (CH2) | 22.4 |
| 12 (C) | 149.1 |
| 13 (C) | 122.4 |
| 14 (CH) | 30.8 |
| 15 (CH) | 109.6 |
| 16 (CH) | 140.9 |
| 17 (CH3) | 17.2 |
| 18 (CH3) | 30.8 |
| 19 (CH3) | 17.2 |
| 20 (CH3) | 15.3 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.8 |
| 6a (C) | 170.8 |
| 6b (CH3) | 21.1 |
