Spektraris NMR
4b,8a-Dihydroxy-6a-vanilloy-loxydauc-9-ene
Common Name: 4b,8a-Dihydroxy-6a-vanilloy-loxydauc-9-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O6/c1-14(2)23(27)11-9-21(3)8-10-22(4,26)13-18(19(21)23)29-20(25)15-6-7-16(24)17(12-15)28-5/h6-8,10,12,14,18-19,24,26-27H,9,11,13H2,1-5H3/t18-,19+,21-,22-,23+/m0/s1
InChIKey: InChIKey=VSBPKNDASTZGIN-UCBRCEGISA-N
Formula: C23H32O6
Molecular Weight: 404.497459
Exact Mass: 404.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, B., Teranishi, R., Kawazoe, K., Takaishi, Y., Honda, G., Itoh, M., Takeda, Y., Kodzhimatov, O.K. Phytochemistry (2000) 54, 717-22
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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 (C) | 46.7 |
| 2 (CH2) | 42.2 |
| 3 (CH2) | 32 |
| 4 (C) | 87.1 |
| 5 (CH) | 52.7 |
| 6 (CH) | 73.4 |
| 7 (CH2) | 45.1 |
| 8 (C) | 71.7 |
| 9 (CH) | 133.3 |
| 10 (CH) | 142.2 |
| 11 (CH) | 37.4 |
| 12 (CH3) | 17.9 |
| 13 (CH3) | 19 |
| 14 (CH3) | 34.1 |
| 15 (CH3) | 21.1 |
| 1' (C) | 123.6 |
| 2' (CH) | 113.9 |
| 3' (C) | 148.6 |
| 4' (C) | 152.5 |
| 5' (CH) | 115.8 |
| 6' (CH) | 125.2 |
| 7' (C) | 168.3 |
| 3'a (CH3) | 56.5 |
