Spektraris NMR
Phyllaemblicin B
Common Name: Phyllaemblicin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O19/c1-13-12-46-32(9-16(13)47-27(42)14-5-3-2-4-6-14)31(44)33(45)19(36)7-15(8-20(33)52-32)28(43)51-30-26(24(40)22(38)18(11-35)49-30)50-29-25(41)23(39)21(37)17(10-34)48-29/h2-6,13,15-26,29-30,34-41,45H,7-12H2,1H3/t13-,15+,16+,17-,18-,19+,20-,21-,22-,23+,24+,25-,26-,29+,30+,32+,33-/m1/s1
InChIKey: InChIKey=RLZZBHBWPWGOSA-WKLGMTJKSA-N
Formula: C33H44O19
Molecular Weight: 744.692371
Exact Mass: 744.247679
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhang, Y.J., Tanaka, T., Iwamoto, Y., Yang, C.R., Kouno, I. J Nat Prod (2000) 63, 1507-10
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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 (CH) | 71.5 |
| 2 (CH2) | 32.2 |
| 3 (CH) | 32.2 |
| 4 (CH2) | 29.3 |
| 5 (CH) | 76.3 |
| 6 (C) | 75.4 |
| 7 (C) | 213.7 |
| 8 (C) | 100.5 |
| 9 (CH2) | 32.7 |
| 10 (CH) | 70.9 |
| 11 (CH) | 34.3 |
| 12 (CH2) | 63.4 |
| 13 (CH3) | 13.1 |
| 15 (C) | 175.8 |
| 1' (CH) | 93.7 |
| 2' (CH) | 83.1 |
| 3' (CH) | 77.8 |
| 4' (CH) | 70.8 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.3 |
| 1'' (CH) | 105.9 |
| 2'' (CH) | 75.9 |
| 3'' (CH) | 77.7 |
| 4'' (CH) | 70.7 |
| 5'' (CH) | 77.6 |
| 6'' (CH2) | 62 |
| 10a (C) | 167.8 |
| 10b (C) | 132.1 |
| 10c (CH) | 130.8 |
| 10d (CH) | 129.9 |
| 10e (CH) | 134.4 |
| 10f (CH) | 129.9 |
| 10g (CH) | 130.8 |
