Spektraris NMR
Briareolate ester H
Common Name: Briareolate ester H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O9/c1-9-10-24(32)37-22-12-14-28(6)13-11-20(16(2)27(33)34-8)26(38-28)25-17(3)21(35-18(4)30)15-23(29(22,25)7)36-19(5)31/h11,13,16-17,21-23,25H,9-10,12,14-15H2,1-8H3/t16-,17-,21-,22-,23+,25-,28+,29+/m1/s1
InChIKey: InChIKey=WKJVZNSZMQWVFX-AYYGGZJESA-N
Formula: C29H42O9
Molecular Weight: 534.639497
Exact Mass: 534.282883
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) | 45.6 |
| 2 (CH) | 78 |
| 3 (CH2) | 28.6 |
| 4 (CH2) | 34.8 |
| 5 (C) | 75.2 |
| 6 (CH) | 130.1 |
| 7 (CH) | 120.4 |
| 8 (C) | 117.6 |
| 9 (C) | 151.1 |
| 10 (CH) | 37.3 |
| 11 (CH) | 31.8 |
| 12 (CH) | 72.5 |
| 13 (CH2) | 30.9 |
| 14 (CH) | 74 |
| 15 (CH3) | 14.9 |
| 16 (CH3) | 23.6 |
| 17 (CH) | 37.7 |
| 18 (CH3) | 14.4 |
| 19 (C) | 174.7 |
| 20 (CH3) | 15.1 |
| 2a (C) | 172.6 |
| 2b (CH2) | 36.4 |
| 2c (CH2) | 18.2 |
| 2d (CH3) | 13.7 |
| 12a (C) | 170.2 |
| 12b (CH3) | 21.1 |
| 14a (C) | 170.1 |
| 14b (CH3) | 21 |
| 19a (CH3) | 52 |
