Spektraris NMR
(3α,5ξ,7β,8α,9β,10α,13α)-19-Acetoxykaur-16-ene-3,7-diyl (2E,2'E)bis(2-methyl-2-butenoate)
Common Name: (3α,5ξ,7β,8α,9β,10α,13α)-19-Acetoxykaur-16-ene-3,7-diyl (2E,2'E)bis(2-methyl-2-butenoate)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O6/c1-9-19(3)28(34)37-26-13-14-30(7)24-12-11-23-17-32(24,16-21(23)5)27(38-29(35)20(4)10-2)15-25(30)31(26,8)18-36-22(6)33/h9-10,23-27H,5,11-18H2,1-4,6-8H3/b19-9+,20-10+/t23-,24+,25+,26-,27+,30+,31-,32+/m1/s1
InChIKey: InChIKey=PKBOXSDBMJQPHV-BUWNZTOESA-N
Formula: C32H46O6
Molecular Weight: 526.705253
Exact Mass: 526.329439
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 |
| 2 (CH2) | 23.1 |
| 3 (CH) | 73.9 |
| 4 (C) | 40.5 |
| 5 (CH) | 39.7 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 79.2 |
| 8 (C) | 47.1 |
| 9 (CH) | 51.3 |
| 10 (C) | 38.7 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 33.3 |
| 13 (CH) | 43.5 |
| 14 (CH2) | 37.9 |
| 15 (CH2) | 45.3 |
| 16 (C) | 154.1 |
| 17 (CH2) | 103.8 |
| 18 (CH2) | 65.2 |
| 19 (CH3) | 13.2 |
| 20 (CH3) | 18 |
| 3a (C) | 167.4 |
| 3b (C) | 128.9 |
| 3c (CH) | 136.8 |
| 3d (CH3) | 14.3 |
| 3ba (CH3) | 12.2 |
| 7a (C) | 167.7 |
| 7b (C) | 129.2 |
| 7c (CH) | 136.6 |
| 7d (CH3) | 14.3 |
| 7ba (CH3) | 12 |
| 18a (C) | 170.7 |
| 18b (CH3) | 20.3 |
