Spektraris NMR
Caseamembrin H
Common Name: Caseamembrin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O8/c1-8-11-25(33)36-24-15-19(5)29(7,14-13-18(4)10-3)23-17-21(32)16-22-27(37-26(34)12-9-2)38-28(30(22,23)24)35-20(6)31/h10,16,19,21,23-24,27-28,32H,3-4,8-9,11-15,17H2,1-2,5-7H3/t19-,21+,23+,24+,27+,28-,29-,30-/m0/s1
InChIKey: InChIKey=DDZAGRCYOAFKSY-CWRUIIGNSA-N
Formula: C30H44O8
Molecular Weight: 532.66671
Exact Mass: 532.303618
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lee, C.L., Khalil, A.T., Cheng, Y.B., Chien, C.T., Kuo, Y.H. Helv Chim Acta (2005) 88, 68-77
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) | 29.5 |
| 2 (CH) | 63.7 |
| 3 (CH) | 126.6 |
| 4 (C) | 142.3 |
| 5 (C) | 52.2 |
| 6 (CH) | 73.8 |
| 7 (CH2) | 33.1 |
| 8 (CH) | 36.2 |
| 9 (C) | 37.4 |
| 10 (CH) | 36.7 |
| 11 (CH2) | 27.9 |
| 12 (CH2) | 23.8 |
| 13 (C) | 145.3 |
| 14 (CH) | 140.3 |
| 15 (CH2) | 112.7 |
| 16 (CH2) | 115.4 |
| 17 (CH3) | 15.6 |
| 18 (CH) | 98.3 |
| 19 (CH) | 95.1 |
| 20 (CH3) | 25.5 |
| 6a (C) | 173.2 |
| 6b (CH2) | 36.6 |
| 6c (CH2) | 18.3 |
| 6d (CH3) | 13.7 |
| 18a (C) | 172.9 |
| 18b (CH2) | 36.3 |
| 18c (CH2) | 18.3 |
| 18d (CH3) | 13.6 |
| 19a (C) | 170 |
| 19b (CH3) | 21.7 |
