Spektraris NMR
CaseamembrinB
Common Name: CaseamembrinB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O7/c1-9-16(3)11-12-27(7)18(5)13-23(30)28-21(25(32-8)35-26(28)33-19(6)29)14-20(15-22(27)28)34-24(31)17(4)10-2/h9,14,17-18,20,22-23,25-26,30H,1,3,10-13,15H2,2,4-8H3/t17?,18-,20+,22+,23+,25+,26-,27-,28-/m0/s1
InChIKey: InChIKey=RGZKHYXCYJSLDP-YSUIGKFQSA-N
Formula: C28H42O7
Molecular Weight: 490.629951
Exact Mass: 490.293054
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) | 27.1 |
| 2 (CH) | 66.2 |
| 3 (CH) | 121.8 |
| 4 (C) | 145.2 |
| 5 (C) | 53.7 |
| 6 (CH) | 73.3 |
| 7 (CH2) | 37.3 |
| 8 (CH) | 37.5 |
| 9 (C) | 37.5 |
| 10 (CH) | 36.3 |
| 11 (CH2) | 27.9 |
| 12 (CH2) | 23.6 |
| 13 (C) | 145.2 |
| 14 (CH) | 140.4 |
| 15 (CH2) | 112.2 |
| 16 (CH2) | 115.3 |
| 17 (CH3) | 15.7 |
| 18 (CH) | 104.6 |
| 19 (CH) | 97.4 |
| 20 (CH3) | 25.5 |
| 2a (C) | 176.2 |
| 2b (CH) | 40.9 |
| 2c (CH2) | 27 |
| 2d (CH3) | 11.7 |
| 2ba (CH3) | 16.4 |
| 18a (CH3) | 56.2 |
| 19a (C) | 170.3 |
| 19b (CH3) | 21.5 |
