Spektraris NMR
CaseamembrinD
Common Name: CaseamembrinD
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H48O10/c1-10-13-26(36)42-30-24-16-23(41-29(38)19(5)12-3)17-25-32(9,15-14-18(4)11-2)20(6)27(39-21(7)34)28(37)33(24,25)31(43-30)40-22(8)35/h11,16,19-20,23,25,27-28,30-31,37H,2,4,10,12-15,17H2,1,3,5-9H3/t19?,20-,23+,25+,27+,28+,30+,31-,32-,33-/m0/s1
InChIKey: InChIKey=ZWHARZIRGKBMPI-VHLLSUOMSA-N
Formula: C33H48O10
Molecular Weight: 604.72949
Exact Mass: 604.324748
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, C.H., Cheng, Y.B., Wang, L.T., Guh, J.H., Chien, C.T., Khalil, A.T. J Nat Prod (2004) 67, 316-21
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) | 26.8 |
| 2 (CH) | 66.1 |
| 3 (CH) | 122.2 |
| 4 (C) | 144.5 |
| 5 (C) | 53.9 |
| 6 (CH) | 75.2 |
| 7 (CH) | 75.3 |
| 8 (CH) | 41.9 |
| 9 (C) | 39.1 |
| 10 (CH) | 36.3 |
| 11 (CH2) | 29.2 |
| 12 (CH2) | 23.8 |
| 13 (C) | 144.8 |
| 14 (CH) | 140.4 |
| 15 (CH2) | 112.3 |
| 16 (CH2) | 116 |
| 17 (CH3) | 11.7 |
| 18 (CH) | 95.3 |
| 19 (CH) | 98 |
| 20 (CH3) | 22.5 |
| 2a (C) | 175.8 |
| 2b (CH) | 41.2 |
| 2c (CH2) | 27 |
| 2d (CH3) | 11.2 |
| 2ba (CH3) | 16.7 |
| 7a (C) | 171.7 |
| 7b (CH3) | 21.3 |
| 18a (C) | 172.5 |
| 18b (CH2) | 35.9 |
| 18c (CH2) | 18.3 |
| 18d (CH3) | 13.6 |
| 19a (C) | 169.3 |
| 19b (CH3) | 21 |
