Spektraris NMR
Auriculatoside B
Common Name: Auriculatoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O11/c1-7-29(6)12-17(33)25-30(16-40-21(34)13-28(4,5)38)10-8-9-27(2,3)19(30)11-20(31(25,39)15-29)42-26-24(37)23(36)22(35)18(14-32)41-26/h7,17-20,22-26,32-33,35-39H,1,8-16H2,2-6H3/t17-,18-,19+,20+,22-,23+,24-,25-,26+,29-,30-,31+/m1/s1
InChIKey: InChIKey=QYIUUYJMNTUPAA-KVKTXYALSA-N
Formula: C31H52O11
Molecular Weight: 600.739186
Exact Mass: 600.350963
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, C.Z., Yu, D.Q. Phytochemistry (1997) 45, 1483-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pimaranes; 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) | 37.5 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 42.5 |
| 4 (C) | 34.5 |
| 5 (CH) | 53.1 |
| 6 (CH2) | 22.6 |
| 7 (CH) | 82.6 |
| 8 (C) | 77.7 |
| 9 (CH) | 61.8 |
| 10 (C) | 43.5 |
| 11 (CH) | 68.7 |
| 12 (CH2) | 49.2 |
| 13 (C) | 31.4 |
| 14 (CH2) | 50.4 |
| 15 (CH) | 149.5 |
| 16 (CH2) | 109.4 |
| 17 (CH3) | 32.1 |
| 18 (CH3) | 34.7 |
| 19 (CH3) | 22.9 |
| 20 (CH2) | 65.8 |
| 1' (CH) | 100 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.8 |
| 5' (CH) | 77.8 |
| 6' (CH2) | 62.9 |
| 20a (C) | 173.7 |
| 20b (CH2) | 49.1 |
| 20c (C) | 70.2 |
| 20d (CH3) | 30.1 |
| 20ca (CH3) | 29.2 |
