Spektraris NMR
Scutalpin N
Common Name: Scutalpin N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O8/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/h4-6,8-9,14,22-23,33H,7,10-13,15-18H2,1-3H3/t22-,23+,26-,27+,28+,29+/m1/s1
InChIKey: InChIKey=RJRCRDUHASNVGC-UARFMNEOSA-N
Formula: C29H36O8
Molecular Weight: 512.592448
Exact Mass: 512.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Papanov, G.Y. Phytochemistry (1998) 49, 2449-52
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) | 21 |
| 2 (CH2) | 25.2 |
| 3 (CH2) | 32.6 |
| 4 (C) | 64.6 |
| 5 (C) | 45.1 |
| 6 (CH) | 68.8 |
| 7 (CH2) | 39.9 |
| 8 (C) | 76.5 |
| 9 (C) | 41.7 |
| 10 (CH) | 41.3 |
| 11 (CH2) | 34.2 |
| 12 (CH2) | 26.3 |
| 13 (C) | 171.7 |
| 14 (CH) | 114.3 |
| 15 (C) | 175.7 |
| 16 (CH2) | 73.2 |
| 17 (CH3) | 21.1 |
| 18 (CH2) | 48.5 |
| 19 (CH2) | 61.8 |
| 20 (CH3) | 20.7 |
| 6a (C) | 165.9 |
| 6b (C) | 130.6 |
| 6c (CH) | 129.6 |
| 6d (CH) | 128 |
| 6e (CH) | 132.7 |
| 6f (CH) | 128 |
| 6g (CH) | 129.6 |
| 19a (C) | 171 |
| 19b (CH3) | 21.6 |
