Spektraris NMR
Scuterulein A
Common Name: Scuterulein A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O10/c1-8-10-22(33)39-21(14-19-15-24(35)37-16-19)29(6)25-20(32)13-12-17(3)28(25,5)26(38-18(4)31)27(30(29,7)36)40-23(34)11-9-2/h15,20-21,25-27,32,36H,3,8-14,16H2,1-2,4-7H3/t20-,21+,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey: InChIKey=HMKSPNGLNXJXOR-OBTVXLROSA-N
Formula: C30H44O10
Molecular Weight: 564.665519
Exact Mass: 564.293448
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) | 67.3 |
| 2 (CH2) | 36.3 |
| 3 (CH2) | 31.1 |
| 4 (C) | 152.2 |
| 5 (C) | 45.3 |
| 6 (CH) | 72.1 |
| 7 (CH) | 74.5 |
| 8 (C) | 79.4 |
| 9 (C) | 47.9 |
| 10 (CH) | 49.4 |
| 11 (CH) | 74.2 |
| 12 (CH2) | 33.5 |
| 13 (C) | 168.1 |
| 14 (CH) | 116.7 |
| 15 (C) | 173.9 |
| 16 (CH2) | 73.1 |
| 17 (CH3) | 23.2 |
| 18 (CH2) | 105.6 |
| 19 (CH3) | 16.7 |
| 20 (CH3) | 16.4 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21 |
| 7a (C) | 176.1 |
| 7b (CH2) | 175.8 |
| 7c (CH2) | 34.3 |
| 7d (CH3) | 34.1 |
| 11a (C) | 19.2 |
| 11b (CH2) | 19 |
| 11c (CH2) | 18.9 |
| 11d (CH3) | 18.7 |
