Spektraris NMR
Brevitaxin
Common Name: Brevitaxin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H30O7/c1-15(2)18-12-19-20(10-16-7-9-26(34)30(3,4)21(16)13-23(19)33)29-28(18)37-27(25(14-31)36-29)17-6-8-22(32)24(11-17)35-5/h6-13,15,25,27,31-32H,14H2,1-5H3/t25-,27?/m0/s1
InChIKey: InChIKey=STCQKVIMCUPRKK-PVCWFJFTSA-N
Formula: C30H30O7
Molecular Weight: 502.556134
Exact Mass: 502.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liang, J.Y., Huang, K.S., Gunatilaka, A.A.L., Yang, L. Phytochemistry (1998) 47, 69-72
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 188 |
| 2 (C) | 133.7 |
| 3 (C) | 144.2 |
| 4 (CH) | 132.8 |
| 5 (C) | 130.7 |
| 6 (CH) | 147.8 |
| 7 (CH) | 123.9 |
| 8 (C) | 200.9 |
| 9 (C) | 50.5 |
| 10 (C) | 150.6 |
| 11 (CH) | 131.7 |
| 12 (CH3) | 28 |
| 13 (CH3) | 25.5 |
| 14 (C) | 140.6 |
| 15 (C) | 142.2 |
| 16 (C) | 122.5 |
| 17 (CH) | 120 |
| 18 (CH) | 27.7 |
| 19 (CH3) | 22 |
| 20 (CH3) | 22.3 |
| 1' (C) | 127.4 |
| 2' (CH) | 109.4 |
| 3' (C) | 146.9 |
| 4' (C) | 146.5 |
| 5' (CH) | 114.8 |
| 6' (CH) | 120.6 |
| 7' (CH) | 76 |
| 8' (CH) | 78.7 |
| 9' (CH2) | 61.5 |
| 3'a (CH3) | 56 |
