Spektraris NMR
Taibaihenryiin A
Common Name: Taibaihenryiin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-10-12-7-13(29-11(2)23)15-20-9-28-22(27,21(15,8-12)17(10)25)18(26)16(20)19(3,4)6-5-14(20)24/h12-16,18,24,26-27H,1,5-9H2,2-4H3/t12-,13-,14+,15+,16-,18+,20+,21+,22-/m1/s1
InChIKey: InChIKey=YJYNZCZZOPKSEI-KUCGYRSISA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, B.L., Pan, Y.J., Pan, W.J. Helv Chim Acta (2001) 84, 3418-22
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 (CH) | 73.5 |
| 2 (CH2) | 29.7 |
| 3 (CH2) | 39 |
| 4 (C) | 33.4 |
| 5 (CH) | 57.8 |
| 6 (CH) | 74.6 |
| 7 (C) | 94.8 |
| 8 (C) | 58.3 |
| 9 (CH) | 53.8 |
| 10 (C) | 42.5 |
| 11 (CH) | 69.5 |
| 12 (CH2) | 38 |
| 13 (CH) | 33.5 |
| 14 (CH2) | 25.8 |
| 15 (C) | 208.1 |
| 16 (C) | 151.9 |
| 17 (CH2) | 118.6 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 22.7 |
| 20 (CH2) | 64.5 |
| 11a (C) | 170.8 |
| 11b (CH3) | 21.8 |
