Spektraris NMR
Briareolate ester D
Common Name: Briareolate ester D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O9/c1-8-9-22(30)35-19-11-10-14(2)12-21-27(36-21,16(4)25(32)33-7)24(31)23-15(3)18(29)13-20(26(19,23)6)34-17(5)28/h12,15-16,18-21,23,29H,8-11,13H2,1-7H3/b14-12-/t15-,16+,18-,19+,20+,21-,23-,26+,27+/m1/s1
InChIKey: InChIKey=JNVDEYRCWCZIIT-UJYWIPNOSA-N
Formula: C27H40O9
Molecular Weight: 508.602144
Exact Mass: 508.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mootoo, B.S., Ramsewak, R., Sharma, R., Tinto, W.F., Lough, A.J., McLean, S., Reynolds, W.F., Yang, J.P., Yu, M. Tetrahedron (1996) 52, 9953-62
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) | 47 |
| 2 (CH) | 78.6 |
| 3 (CH2) | 29.6 |
| 4 (CH2) | 32.6 |
| 5 (C) | 145.3 |
| 6 (CH) | 114.5 |
| 7 (CH) | 62.7 |
| 8 (C) | 69.7 |
| 9 (C) | 209.4 |
| 10 (CH) | 42.1 |
| 11 (CH) | 36.6 |
| 12 (CH) | 69.7 |
| 13 (CH2) | 31.2 |
| 14 (CH) | 74.3 |
| 15 (CH3) | 12.3 |
| 16 (CH3) | 26.2 |
| 17 (CH) | 39.3 |
| 18 (CH3) | 12.6 |
| 19 (C) | 172.1 |
| 20 (CH3) | 16.2 |
| 2a (C) | 173.5 |
| 2b (CH2) | 36.3 |
| 2c (CH2) | 18.1 |
| 2d (CH3) | 13.6 |
| 14a (C) | 169.9 |
| 14b (CH3) | 21.6 |
| 19a (CH3) | 51.5 |
