Spektraris NMR
Scupolin C
Common Name: Scupolin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O10/c1-23(37)45-28(17-24-18-30(38)42-20-24)34(3)27-15-10-16-35(21-44-35)36(27,22-43-31(39)25-11-6-4-7-12-25)29(19-33(34,2)41)46-32(40)26-13-8-5-9-14-26/h4-9,11-14,18,27-29,41H,10,15-17,19-22H2,1-3H3/t27-,28+,29+,33+,34+,35+,36+/m1/s1
InChIKey: InChIKey=WEMANRXAHPPLNI-HZXVDWMXSA-N
Formula: C36H40O10
Molecular Weight: 632.698172
Exact Mass: 632.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de la Torre, M.C., Rodriguez, B., Bruno, M., Vassallo, N., Bondi, M.L., Piozzi, F., Servettaz, O. J Nat Prod (1997) 60, 1229-35
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) | 23.3 |
| 2 (CH2) | 24.8 |
| 3 (CH2) | 33 |
| 4 (C) | 64.9 |
| 5 (C) | 45.6 |
| 6 (CH) | 69.7 |
| 7 (CH2) | 40.2 |
| 8 (C) | 76.5 |
| 9 (C) | 46.5 |
| 10 (CH) | 43.5 |
| 11 (CH) | 74.1 |
| 12 (CH2) | 33.1 |
| 13 (C) | 167.9 |
| 14 (CH) | 116.7 |
| 15 (C) | 173.9 |
| 16 (CH2) | 73.1 |
| 17 (CH3) | 26.7 |
| 18 (CH2) | 48.2 |
| 19 (CH2) | 62.3 |
| 20 (CH3) | 16 |
| 6a (C) | 166.1 |
| 6b (C) | 130.1 |
| 6c (CH) | 129.7 |
| 6d (CH) | 128.3 |
| 6e (CH) | 132.9 |
| 6f (CH) | 128.3 |
| 6g (CH) | 129.7 |
| 11a (C) | 170.7 |
| 11b (CH3) | 20.8 |
| 19a (C) | 167.1 |
| 19b (C) | 129.8 |
| 19c (CH) | 129.7 |
| 19d (CH) | 127.8 |
| 19e (CH) | 132.6 |
| 19f (CH) | 127.8 |
| 19g (CH) | 129.7 |
