Spektraris NMR
Scuterulein C
Common Name: Scuterulein C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O11/c1-9-10-23(34)41-27-26(40-19(5)33)28(6)16(2)11-12-21(38-17(3)31)25(28)29(7,30(27,8)36)22(39-18(4)32)13-20-14-24(35)37-15-20/h14,21-22,25-27,36H,2,9-13,15H2,1,3-8H3/t21-,22+,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey: InChIKey=DDPYXTKKOSMSKR-UHPOPCDNSA-N
Formula: C30H42O11
Molecular Weight: 578.649043
Exact Mass: 578.272712
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Dominguez, R.M., Toscano, R.A. J Nat Prod (2001) 64, 778-82
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 (CH) | 69.1 |
| 2 (CH2) | 34.7 |
| 3 (CH2) | 30.8 |
| 4 (C) | 151.3 |
| 5 (C) | 45.7 |
| 6 (CH) | 71.83 |
| 7 (CH) | 74.6 |
| 8 (C) | 80 |
| 9 (C) | 48.5 |
| 10 (CH) | 47.6 |
| 11 (CH) | 73.9 |
| 12 (CH2) | 33.3 |
| 13 (C) | 168.6 |
| 14 (CH) | 116.7 |
| 15 (C) | 173.8 |
| 16 (CH2) | 73.1 |
| 17 (CH3) | 23.3 |
| 18 (CH2) | 106.1 |
| 19 (CH3) | 17 |
| 20 (CH3) | 15.6 |
| 1a (C) | 169.9 |
| 1b (CH3) | 21.1 |
| 6a (C) | 170.5 |
| 6b (CH3) | 20.6 |
| 7a (C) | 175.9 |
| 7b (CH2) | 34.1 |
| 7c (CH2) | 19.2 |
| 7d (CH3) | 18.7 |
| 11a (C) | 171 |
| 11b (CH3) | 22.4 |
