Spektraris NMR
Scutalpin K
Common Name: Scutalpin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H38O10/c1-23(37)43-22-36-27(15-10-17-35(36)21-44-35)33(2,18-16-24-19-28(38)42-20-24)34(3,41)29(45-31(39)25-11-6-4-7-12-25)30(36)46-32(40)26-13-8-5-9-14-26/h4-9,11-14,16,18-19,27,29-30,41H,10,15,17,20-22H2,1-3H3/b18-16+/t27-,29+,30+,33-,34+,35+,36+/m1/s1
InChIKey: InChIKey=QBZLUKXXDDCCTL-SADYJSJDSA-N
Formula: C36H38O10
Molecular Weight: 630.68229
Exact Mass: 630.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Delatorre, M.C., Rodriguez, B., Bruno, M., Piozzi, F., Savona, G., Vassallo, N., Servettaz, O. Phytochemistry (1995) 38, 181-7
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) | 22.5 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 32.2 |
| 4 (C) | 65.1 |
| 5 (C) | 45.9 |
| 6 (CH) | 70.7 |
| 7 (CH) | 74.9 |
| 8 (C) | 77.3 |
| 9 (C) | 48 |
| 10 (CH) | 45.2 |
| 11 (CH) | 145.7 |
| 12 (CH) | 122.3 |
| 13 (C) | 161.6 |
| 14 (CH) | 115.5 |
| 15 (C) | 173.7 |
| 16 (CH2) | 70.6 |
| 17 (CH3) | 22.4 |
| 18 (CH2) | 49.7 |
| 19 (CH2) | 62.3 |
| 20 (CH3) | 14.6 |
| 6a (C) | 165.9 |
| 6b (C) | 130.1 |
| 6c (CH) | 129.7 |
| 6d (CH) | 128.4 |
| 6e (CH) | 133.3 |
| 6f (CH) | 128.4 |
| 6g (CH) | 129.7 |
| 7a (C) | 165.7 |
| 7b (C) | 128.9 |
| 7c (CH) | 129.4 |
| 7d (CH) | 128 |
| 7e (CH) | 132.6 |
| 7f (CH) | 128 |
| 7g (CH) | 129.4 |
| 19a (C) | 170.9 |
| 19b (CH3) | 21 |
