Spektraris NMR
Mastigophorene B
Common Name: Mastigophorene B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O4/c1-17-15-19(29(7)13-9-11-27(29,3)4)23(31)25(33)21(17)22-18(2)16-20(24(32)26(22)34)30(8)14-10-12-28(30,5)6/h15-16,31-34H,9-14H2,1-8H3/t29-,30-/m1/s1
InChIKey: InChIKey=TZWQPPFRZCEUCT-LOYHVIPDSA-N
Formula: C30H42O4
Molecular Weight: 466.653208
Exact Mass: 466.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Harinantenaina, L., Noma, Y., Asakawa, Y. Chem Pharm Bull (2005) 53, 256-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Herbertanes; 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) | 141 |
| 2 (C) | 140.8 |
| 3 (C) | 117.1 |
| 4 (C) | 126.8 |
| 5 (CH) | 122.9 |
| 6 (C) | 134.1 |
| 7 (C) | 51.5 |
| 8 (CH2) | 39.3 |
| 9 (CH2) | 20.6 |
| 10 (CH2) | 41.4 |
| 11 (C) | 45.1 |
| 12 (CH3) | 19.4 |
| 13 (CH3) | 22.7 |
| 14 (CH3) | 27.4 |
| 15 (CH3) | 25.8 |
| 1' (C) | 141 |
| 2' (C) | 140.8 |
| 3' (C) | 117.1 |
| 4' (C) | 126.8 |
| 5' (CH) | 122.9 |
| 6' (C) | 134.1 |
| 7' (C) | 51.5 |
| 8' (CH2) | 39.3 |
| 9' (CH2) | 20.6 |
| 10' (CH2) | 41.4 |
| 11' (C) | 45.1 |
| 12' (CH3) | 19.4 |
| 13' (CH3) | 22.7 |
| 14' (CH3) | 27.4 |
| 15' (CH3) | 25.8 |
