Spektraris NMR
Brwitaxin
Common Name: Brwitaxin
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: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Arslanian, R.L., Bailey, D.T., Kent, M.C., Richheimer, S.L., Thornburg, K.R., Timmons, D.W., Zheng, Q.Y. J Nat Prod (1995) 58, 583-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Icetexanes; 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) | 148.1 |
| 2 (CH) | 123.2 |
| 3 (C) | 200 |
| 4 (C) | 49.7 |
| 5 (C) | 150.1 |
| 6 (CH) | 131 |
| 7 (C) | 186.6 |
| 8 (C) | 132.7 |
| 9 (C) | 144.1 |
| 10 (C) | 130.1 |
| 11 (C) | 141 |
| 12 (C) | 141 |
| 13 (C) | 121.9 |
| 14 (CH) | 118.1 |
| 15 (CH) | 27.1 |
| 16 (CH3) | 21.7 |
| 17 (CH3) | 22 |
| 18 (CH3) | 27.3 |
| 19 (CH3) | 25.3 |
| 20 (CH) | 133.3 |
| 1' (C) | 126.9 |
| 2' (CH) | 111.6 |
| 3' (C) | 147.7 |
| 4' (C) | 147.2 |
| 5' (CH) | 115.4 |
| 6' (CH) | 120.3 |
| 7' (CH) | 75.9 |
| 8' (CH) | 78.6 |
| 9' (CH2) | 60 |
| 3'a (CH3) | 55.7 |
