Spektraris NMR
Caseargrewiins G
Common Name: Caseargrewiins G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O7/c1-8-10-23(30)33-19-14-20-24(31-7)34-25(32-18(5)28)27(20)21(15-19)26(6,12-11-16(3)9-2)17(4)13-22(27)29/h9,11,14,17,19,21-22,24-25,29H,2,8,10,12-13,15H2,1,3-7H3/b16-11-/t17-,19+,21+,22+,24+,25-,26-,27-/m1/s1
InChIKey: InChIKey=HYYVVSPRNZXNBO-MXRYFZCASA-N
Formula: C27H40O7
Molecular Weight: 476.603334
Exact Mass: 476.277404
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kanokmedhakul, S., Kanokmedhakul, K., Buayairaksa, M. J Nat Prod (2007) 70, 1122-6
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) | 27 |
| 2 (CH) | 66.2 |
| 3 (CH) | 121.7 |
| 4 (C) | 146.4 |
| 5 (C) | 53.5 |
| 6 (CH) | 73.2 |
| 7 (CH2) | 37.4 |
| 8 (CH) | 36.7 |
| 9 (C) | 37.8 |
| 10 (CH) | 36.5 |
| 11 (CH2) | 29.2 |
| 12 (CH) | 127 |
| 13 (C) | 133.3 |
| 14 (CH) | 133.4 |
| 15 (CH2) | 114.3 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 15.6 |
| 18 (CH) | 104.8 |
| 19 (CH) | 97.1 |
| 20 (CH3) | 25.6 |
| 2a (C) | 173.4 |
| 2b (CH2) | 36.5 |
| 2c (CH2) | 18.6 |
| 2d (CH3) | 13.6 |
| 18a (CH3) | 56.2 |
| 19a (C) | 170.1 |
| 19b (CH3) | 21.5 |
