Spektraris NMR
Taibaijaponicain A
Common Name: Taibaijaponicain A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O7/c1-19(2)5-4-13-21(9-27-17(24)15(19)21)14-12(22)6-10-7-20(14,18(25)28-13)16(23)11(10)8-26-3/h10-15,17,22,24H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15-,17-,20+,21+/m1/s1
InChIKey: InChIKey=URACXFCMOSKOEL-SCWUFUGZSA-N
Formula: C21H30O7
Molecular Weight: 394.459511
Exact Mass: 394.199153
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, B., Tian, X. Phytochemistry (2001) 58, 543-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Enmeins; 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) | 77.3 |
| 2 (CH2) | 24.2 |
| 3 (CH2) | 37.4 |
| 4 (C) | 32.1 |
| 5 (CH) | 54.3 |
| 6 (CH) | 102.6 |
| 7 (C) | 171.2 |
| 8 (C) | 57.7 |
| 9 (CH) | 53.1 |
| 10 (C) | 50.9 |
| 11 (CH) | 63.3 |
| 12 (CH2) | 32.6 |
| 13 (CH) | 31.3 |
| 14 (CH2) | 35 |
| 15 (C) | 212.3 |
| 16 (CH) | 58.8 |
| 17 (CH2) | 69.3 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 23.5 |
| 20 (CH2) | 73.9 |
| 17a (CH3) | 56.4 |
