Spektraris NMR
Scutalpin J
Common Name: Scutalpin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O8/c1-19(30)35-18-29-22(10-7-12-28(29)17-36-28)26(2,13-11-20-14-24(31)34-16-20)27(3,33)15-23(29)37-25(32)21-8-5-4-6-9-21/h4-6,8-9,11,13-14,22-23,33H,7,10,12,15-18H2,1-3H3/b13-11+/t22-,23+,26-,27+,28+,29+/m1/s1
InChIKey: InChIKey=WDFJMIVJJNOJGX-QBUVTVESSA-N
Formula: C29H34O8
Molecular Weight: 510.576566
Exact Mass: 510.225368
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) | 22.7 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 32.7 |
| 4 (C) | 64.7 |
| 5 (C) | 44.9 |
| 6 (CH) | 69.9 |
| 7 (CH2) | 38.7 |
| 8 (C) | 75.3 |
| 9 (C) | 47.3 |
| 10 (CH) | 45.8 |
| 11 (CH) | 146.8 |
| 12 (CH) | 122 |
| 13 (C) | 161.9 |
| 14 (CH) | 114.9 |
| 15 (C) | 174 |
| 16 (CH2) | 70.6 |
| 17 (CH3) | 26.5 |
| 18 (CH2) | 48.6 |
| 19 (CH2) | 61.8 |
| 20 (CH3) | 15.1 |
| 6a (C) | 165.9 |
| 6b (C) | 130.6 |
| 6c (CH) | 129.7 |
| 6d (CH) | 128.2 |
| 6e (CH) | 132.8 |
| 6f (CH) | 128.2 |
| 6g (CH) | 129.7 |
| 19a (C) | 171.4 |
| 19b (CH3) | 21.2 |
