Spektraris NMR
Briaranolide D
Common Name: Briaranolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O12/c1-9-10-21(34)41-24-15(3)13-20-30(29(8,42-30)27(36)40-20)25(38-17(5)32)22-14(2)11-12-19(37-16(4)31)28(22,7)26(23(24)35)39-18(6)33/h11,13,19-20,22-26,35H,9-10,12H2,1-8H3/b15-13-/t19-,20-,22+,23-,24+,25-,26-,28-,29-,30-/m0/s1
InChIKey: InChIKey=QCKBRNGBTDVVAQ-QKIRBCLPSA-N
Formula: C30H40O12
Molecular Weight: 592.632566
Exact Mass: 592.251977
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hoshino, A., Mitome, H., Tamai, S., Takiyama, H., Miyaoka, H. J Nat Prod (2005) 68, 1328-35
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) | 42.2 |
| 2 (CH) | 72.7 |
| 3 (CH) | 71.7 |
| 4 (CH) | 66.2 |
| 5 (C) | 141.1 |
| 6 (CH) | 123.5 |
| 7 (CH) | 75.2 |
| 8 (C) | 71.6 |
| 9 (CH) | 72.7 |
| 10 (CH) | 43.8 |
| 11 (C) | 131 |
| 12 (CH) | 122.4 |
| 13 (CH2) | 28.2 |
| 14 (CH) | 74.5 |
| 15 (CH3) | 17.3 |
| 16 (CH3) | 16.9 |
| 17 (C) | 62.2 |
| 18 (CH3) | 10.2 |
| 19 (C) | 170.8 |
| 20 (CH3) | 22.6 |
| 2a (C) | 169.5 |
| 2b (CH3) | 21 |
| 4a (C) | 171.4 |
| 4b (CH2) | 35.9 |
| 4c (CH2) | 18.5 |
| 4d (CH3) | 13.6 |
| 9a (C) | 169.3 |
| 9b (CH3) | 20.9 |
| 14a (C) | 170.2 |
| 14b (CH3) | 20.9 |
