Spektraris NMR
Blumiolide-B
Common Name: Blumiolide-B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13-7-9-16-15(6-5-11-20(3,4)23)12-24-19(22)18(16)14(2)8-10-17(13)21/h5-6,11,16-18,21,23H,1-2,7-10,12H2,3-4H3/b11-5+,15-6-/t16-,17+,18+/m1/s1
InChIKey: InChIKey=JSQQYBKNOUUYPJ-JBPXYRHBSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Gamal, A.A., Chiang, C.Y., Huang, S.H., Wang, S.K., Duh, C.Y. J Nat Prod (2005) 68, 1336-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 146.6 |
| 2 (CH) | 50.7 |
| 3 (CH) | 38.1 |
| 4 (CH2) | 35.1 |
| 5 (CH2) | 28.7 |
| 6 (C) | 152.4 |
| 7 (CH) | 75.7 |
| 8 (CH2) | 35.6 |
| 9 (CH2) | 30.7 |
| 10 (C) | 135.1 |
| 11 (CH) | 128.1 |
| 12 (CH) | 120.8 |
| 13 (CH) | 145.1 |
| 14 (C) | 71 |
| 15 (CH3) | 29.9 |
| 16 (CH3) | 30 |
| 17 (CH2) | 71.7 |
| 18 (C) | 173.2 |
| 19 (CH2) | 114.8 |
| 20 (CH2) | 118.1 |
