Spektraris NMR
Briaexcavatins O
Common Name: Briaexcavatins O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O13/c1-9-10-21(36)42-24-23(38-15(4)31)13(2)11-20-30(29(8,43-30)27(37)41-20)25(39-16(5)32)22-14(3)18(34)12-19(35)28(22,7)26(24)40-17(6)33/h11,14,18-20,22-26,34-35H,9-10,12H2,1-8H3/b13-11-/t14-,18-,19-,20-,22+,23+,24-,25-,26-,28-,29+,30-/m0/s1
InChIKey: InChIKey=GRANEUVTBSLGKC-BFSWLQEMSA-N
Formula: C30H42O13
Molecular Weight: 610.647853
Exact Mass: 610.262541
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Lin, M.R., Hwang, T.L., Fan, T.Y., Su, W.C., Ho, C.C., Fang, L.S., Wang, W.H. Chem Pharm Bull (2008) 56, 930-5
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) | 44.8 |
| 2 (CH) | 81.9 |
| 3 (CH) | 74.5 |
| 4 (CH) | 64.8 |
| 5 (C) | 137.7 |
| 6 (CH) | 126.2 |
| 7 (CH) | 73.7 |
| 8 (C) | 69.5 |
| 9 (CH) | 66.5 |
| 10 (CH) | 39.5 |
| 11 (CH) | 36.2 |
| 12 (CH) | 66 |
| 13 (CH2) | 33.4 |
| 14 (CH) | 79.4 |
| 15 (CH3) | 17.8 |
| 16 (CH3) | 16.8 |
| 17 (C) | 61 |
| 18 (CH3) | 10 |
| 19 (C) | 171.3 |
| 20 (CH3) | 9.2 |
| 2a (C) | 171.2 |
| 2b (CH3) | 21.2 |
| 3a (C) | 171.7 |
| 3b (CH2) | 36.1 |
| 3c (CH2) | 18.5 |
| 3d (CH3) | 13.7 |
| 4a (C) | 171.8 |
| 4b (CH3) | 21 |
| 9a (C) | 170.3 |
| 9b (CH3) | 21.7 |
