Spektraris NMR
(16R)-2α-(3-Methyl-2-butenoyloxy)-3a,17-diacetoxy-16-hydroxyphyllocladane
Common Name: (16R)-2α-(3-Methyl-2-butenoyloxy)-3a,17-diacetoxy-16-hydroxyphyllocladane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O7/c1-17(2)12-24(32)36-21-14-27(7)22(26(5,6)25(21)35-19(4)31)10-11-28-13-20(8-9-23(27)28)29(33,15-28)16-34-18(3)30/h12,20-23,25,33H,8-11,13-16H2,1-7H3/t20-,21-,22+,23-,25-,27+,28+,29+/m1/s1
InChIKey: InChIKey=CWJXWISYZCLHGT-RDAGTKSJSA-N
Formula: C29H44O7
Molecular Weight: 504.656569
Exact Mass: 504.308704
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, G., Ruedi, P. Phytochemistry (1996) 41, 1563-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phyllocladanes; 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 (CH) | 66.9 |
| 3 (CH) | 77.2 |
| 4 (C) | 38.1 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 40.7 |
| 8 (C) | 43.6 |
| 9 (CH) | 56.2 |
| 10 (C) | 38.9 |
| 11 (CH2) | 19.3 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 44.3 |
| 14 (CH2) | 48.1 |
| 15 (CH2) | 44.8 |
| 16 (C) | 82.5 |
| 17 (CH2) | 67.6 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 15.5 |
| 2a (C) | 165.1 |
| 2b (CH) | 15.1 |
| 2c (C) | 56.8 |
| 2ca (CH3) | 27.3 |
| 2cb (CH3) | 20.1 |
| 3a (C) | 170.4 |
| 3b (CH3) | 20.8 |
| 17a (C) | 171.1 |
| 17b (CH3) | 20.9 |
