Spektraris NMR
Casearborin B
Common Name: Casearborin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O9/c1-8-18(2)11-13-31(6)19(3)12-14-32-24(29(38-20(4)33)41-30(32)39-21(5)34)16-23(17-27(31)32)40-28(36)22-9-10-25(35)26(15-22)37-7/h8-11,15-16,19,23,27,29-30,35H,1,12-14,17H2,2-7H3/b18-11+/t19-,23+,27+,29+,30-,31-,32-/m1/s1
InChIKey: InChIKey=HSCLLTPGIBCIBD-DZHOVOBOSA-N
Formula: C32H40O9
Molecular Weight: 568.655823
Exact Mass: 568.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Beutler, J.A., McCall, K.L., Herbert, K., Herald, D.L., Pettit, G.R., Johnson, T., Shoemaker, R.H., Boyd, M.R. J Nat Prod (2000) 63, 657-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 26.3 |
| 2 (CH) | 67.1 |
| 3 (CH) | 120.4 |
| 4 (C) | 147.1 |
| 5 (C) | 49.2 |
| 6 (CH2) | 27.4 |
| 7 (CH2) | 29.1 |
| 8 (CH) | 36.5 |
| 9 (C) | 37.5 |
| 10 (CH) | 35 |
| 11 (CH2) | 30.5 |
| 12 (CH) | 129.2 |
| 13 (C) | 135.6 |
| 14 (CH) | 141.2 |
| 15 (CH2) | 110.9 |
| 16 (CH3) | 12 |
| 17 (CH3) | 15.6 |
| 18 (CH) | 94.5 |
| 19 (CH) | 98.8 |
| 20 (CH3) | 25.7 |
| 2a (C) | 165.6 |
| 2b (C) | 122.7 |
| 2c (CH) | 111.9 |
| 2d (C) | 146.3 |
| 2e (C) | 150.2 |
| 2f (CH) | 114 |
| 2g (CH) | 124 |
| 2da (CH3) | 56 |
| 18a (C) | 170.4 |
| 18b (CH3) | 21.2 |
| 19a (C) | 169.7 |
| 19b (CH3) | 21.4 |
