Spektraris NMR
(3α,5ξ,7β,8α,9β,10α,13α)-19-Acetoxykaur-16-ene-3,7-diyl dibutanoate
Common Name: (3α,5ξ,7β,8α,9β,10α,13α)-19-Acetoxykaur-16-ene-3,7-diyl dibutanoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-7-9-26(32)35-24-13-14-28(5)22-12-11-21-17-30(22,16-19(21)3)25(36-27(33)10-8-2)15-23(28)29(24,6)18-34-20(4)31/h21-25H,3,7-18H2,1-2,4-6H3/t21-,22+,23+,24-,25+,28+,29-,30+/m1/s1
InChIKey: InChIKey=PXBYTBWVFIEUFB-LLKZBMCISA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Rosselli, S., Pibiri, I., Piozzi, F., Bondi, M.L., Simmonds, M.S. Phytochemistry (2001) 58, 463-74
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 38.1 |
| 2 (CH2) | 23.1 |
| 3 (CH) | 73.5 |
| 4 (C) | 40.4 |
| 5 (CH) | 39.9 |
| 6 (CH2) | 24.4 |
| 7 (CH) | 78.8 |
| 8 (C) | 46.8 |
| 9 (CH) | 51 |
| 10 (C) | 38.7 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 33.3 |
| 13 (CH) | 43.5 |
| 14 (CH2) | 37.7 |
| 15 (CH2) | 45 |
| 16 (C) | 154.1 |
| 17 (CH2) | 103.9 |
| 18 (CH2) | 65.2 |
| 19 (CH3) | 12.9 |
| 20 (CH3) | 18 |
| 3a (C) | 173.1 |
| 3b (CH2) | 36.7 |
| 3c (CH2) | 18.5 |
| 3d (CH3) | 13.8 |
| 7a (C) | 172.8 |
| 7b (CH2) | 36.5 |
| 7c (CH2) | 18.5 |
| 7d (CH3) | 13.7 |
| 18a (C) | 170.5 |
| 18b (CH3) | 20.9 |
