Spektraris NMR
Briaranolide B
Common Name: Briaranolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O13/c1-10-11-23(37)44-25-16(3)14-22-32(31(9,45-32)29(38)43-22)27(41-19(6)35)24-15(2)12-13-21(39-17(4)33)30(24,8)28(42-20(7)36)26(25)40-18(5)34/h12,14,21-22,24-28H,10-11,13H2,1-9H3/b16-14-/t21-,22-,24+,25+,26-,27-,28-,30-,31-,32-/m0/s1
InChIKey: InChIKey=XQKIYBRTLSAZTP-ALIORMEASA-N
Formula: C32H42O13
Molecular Weight: 634.669324
Exact Mass: 634.262541
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) | 42.3 |
| 2 (CH) | 72.7 |
| 3 (CH) | 70.7 |
| 4 (CH) | 65.4 |
| 5 (C) | 140.9 |
| 6 (CH) | 124.1 |
| 7 (CH) | 74.9 |
| 8 (C) | 71.3 |
| 9 (CH) | 72.7 |
| 10 (CH) | 43.9 |
| 11 (C) | 131.2 |
| 12 (CH) | 122.1 |
| 13 (CH2) | 28.2 |
| 14 (CH) | 73.8 |
| 15 (CH3) | 17.5 |
| 16 (CH3) | 17.5 |
| 17 (C) | 62.2 |
| 18 (CH3) | 10.3 |
| 19 (C) | 170.8 |
| 20 (CH3) | 22.1 |
| 2a (C) | 169.4 |
| 2b (CH3) | 20.8 |
| 3a (C) | 169.3 |
| 3b (CH3) | 20.5 |
| 4a (C) | 171.6 |
| 4b (CH2) | 36 |
| 4c (CH2) | 18.4 |
| 4d (CH3) | 13.7 |
| 9a (C) | 169.3 |
| 9b (CH3) | 20.8 |
| 14a (C) | 170.2 |
| 14b (CH3) | 21 |
