Spektraris NMR
Scutalpin I
Common Name: Scutalpin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O10/c1-19(32)38-18-31-23(11-8-12-30(31)17-39-30)29(4,24(40-20(2)33)13-21-14-26(34)37-16-21)28(3,36)15-25(31)41-27(35)22-9-6-5-7-10-22/h5-7,9-10,14,23-25,36H,8,11-13,15-18H2,1-4H3/t23-,24+,25+,28+,29+,30+,31+/m1/s1
InChIKey: InChIKey=NPUUGQKYPPZVNP-DQHGQSEYSA-N
Formula: C31H38O10
Molecular Weight: 570.628611
Exact Mass: 570.246497
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) | 23.1 |
| 2 (CH2) | 24.8 |
| 3 (CH2) | 32.8 |
| 4 (C) | 64.6 |
| 5 (C) | 45.5 |
| 6 (CH) | 69.7 |
| 7 (CH2) | 40.6 |
| 8 (C) | 76.6 |
| 9 (C) | 46.5 |
| 10 (CH) | 43.6 |
| 11 (CH) | 74.1 |
| 12 (CH2) | 33.1 |
| 13 (C) | 167.6 |
| 14 (CH) | 116.8 |
| 15 (C) | 173.8 |
| 16 (CH2) | 73.1 |
| 17 (CH3) | 27 |
| 18 (CH2) | 48.5 |
| 19 (CH2) | 61.8 |
| 20 (CH3) | 16 |
| 6a (C) | 166 |
| 6b (C) | 130.6 |
| 6c (CH) | 129.7 |
| 6d (CH) | 128.2 |
| 6e (CH) | 132.9 |
| 6f (CH) | 128.2 |
| 6g (CH) | 129.7 |
| 11a (C) | 171.3 |
| 11b (CH3) | 21.2 |
| 19a (C) | 170.7 |
| 19b (CH3) | 20.8 |
