Spektraris NMR
Casearvestrin C
Common Name: Casearvestrin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O8/c1-8-10-11-12-26(34)37-22-16-23-27(35-20(5)31)38-28(36-21(6)32)30(23)24(17-22)29(7,14-13-18(3)9-2)19(4)15-25(30)33/h9,13,16,19,22,24-25,27-28,33H,2,8,10-12,14-15,17H2,1,3-7H3/b18-13+/t19-,22-,24+,25+,27+,28?,29-,30-/m1/s1
InChIKey: InChIKey=OWZBTGIYKSYHIP-SZIIEGAMSA-N
Formula: C30H44O8
Molecular Weight: 532.66671
Exact Mass: 532.303618
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oberlies, N.H., Burgess, J.P., Navarro, H.A., Pinos, R.E., Fairchild, C.R., Peterson, R.W., Soejarto, D.D., Farnsworth, N.R., Kinghorn, A.D., Wani, M.C., Wall, M.E. J Nat Prod (2002) 65, 95-9
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) | 26.1 |
| 2 (CH) | 70.5 |
| 3 (CH) | 124.1 |
| 4 (C) | 144.3 |
| 5 (C) | 53.4 |
| 6 (CH) | 74 |
| 7 (CH2) | 37.6 |
| 8 (CH) | 36.8 |
| 9 (C) | 38.5 |
| 10 (CH) | 41.3 |
| 11 (CH2) | 28.7 |
| 12 (CH) | 126.3 |
| 13 (C) | 133.7 |
| 14 (CH) | 133.3 |
| 15 (CH2) | 114.4 |
| 16 (CH3) | 20.3 |
| 17 (CH3) | 15.6 |
| 18 (CH) | 95.2 |
| 19 (CH) | 96.9 |
| 20 (CH3) | 25 |
| 2a (C) | 173.6 |
| 2b (CH2) | 34.4 |
| 2c (CH2) | 24.9 |
| 2d (CH2) | 31.3 |
| 2e (CH2) | 22.2 |
| 2f (CH3) | 13.9 |
| 18a (C) | 170 |
| 18b (CH3) | 21.3 |
| 19a (C) | 169.2 |
| 19b (CH3) | 21.2 |
