Spektraris NMR
Deacetylscuterulein C
Common Name: Deacetylscuterulein C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O10/c1-8-9-21(32)38-25-24(37-17(4)30)26(5)15(2)10-11-19(31)23(26)27(6,28(25,7)34)20(36-16(3)29)12-18-13-22(33)35-14-18/h13,19-20,23-25,31,34H,2,8-12,14H2,1,3-7H3/t19-,20+,23+,24+,25+,26+,27-,28+/m1/s1
InChIKey: InChIKey=PSBBWFKBWAWSBG-MJTZFLBHSA-N
Formula: C28H40O10
Molecular Weight: 536.612285
Exact Mass: 536.262148
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) | 67.2 |
| 2 (CH2) | 36.3 |
| 3 (CH2) | 31.2 |
| 4 (C) | 152.2 |
| 5 (C) | 45.4 |
| 6 (CH) | 72.1 |
| 7 (CH) | 74.5 |
| 8 (C) | 79.3 |
| 9 (C) | 48 |
| 10 (CH) | 49.4 |
| 11 (CH) | 74.8 |
| 12 (CH2) | 33.4 |
| 13 (C) | 168 |
| 14 (CH) | 116.6 |
| 15 (C) | 173.9 |
| 16 (CH2) | 73.1 |
| 17 (CH3) | 23.2 |
| 18 (CH2) | 105.6 |
| 19 (CH3) | 16.7 |
| 20 (CH3) | 16.3 |
| 6a (C) | 170.4 |
| 6b (CH3) | 20.8 |
| 7a (C) | 176 |
| 7b (CH2) | 34.1 |
| 7c (CH2) | 18.7 |
| 7d (CH3) | 19.2 |
| 11a (C) | 169.5 |
| 11b (CH3) | 21.1 |
