Spektraris NMR
Bourneioside B
Common Name: Bourneioside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H78O19/c1-21(2)22-9-14-48(43(61)67-42-39(60)36(57)33(54)26(65-42)19-62-40-37(58)34(55)31(52)24(17-49)63-40)16-15-46(5)23(30(22)48)7-8-28-44(3)12-11-29(45(4,20-51)27(44)10-13-47(28,46)6)66-41-38(59)35(56)32(53)25(18-50)64-41/h22-42,49-60H,1,7-20H2,2-6H3/t22-,23+,24+,25+,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,44-,45-,46+,47+,48-/m0/s1
InChIKey: InChIKey=PIBYCTCUYUVYMR-RVBUUBKCSA-N
Formula: C48H78O19
Molecular Weight: 959.123395
Exact Mass: 958.51373
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiang, T., Tezuka, Y., Wu, L.J., Banskota, A.H., Kadota, S. Phytochemistry (2000) 54, 795-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH2) | 39 |
| 2 (CH2) | 26 |
| 3 (CH) | 82 |
| 4 (C) | 43.5 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.3 |
| 8 (C) | 42.8 |
| 9 (CH) | 50.9 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 26 |
| 13 (CH) | 38.3 |
| 14 (C) | 41.2 |
| 15 (CH2) | 30.2 |
| 16 (CH2) | 32.3 |
| 17 (C) | 57 |
| 18 (CH) | 49.8 |
| 19 (CH) | 47.4 |
| 20 (C) | 150.8 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 37.1 |
| 23 (CH2) | 64.6 |
| 24 (CH3) | 13.5 |
| 25 (CH3) | 17 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 14.9 |
| 28 (C) | 174.9 |
| 29 (CH2) | 110 |
| 30 (CH3) | 19.4 |
| 1' (CH) | 105.7 |
| 2' (CH) | 75.9 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 95.2 |
| 2'' (CH) | 74 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 70.9 |
| 5'' (CH) | 78 |
| 6'' (CH2) | 69.5 |
| 1''' (CH) | 105.4 |
| 2''' (CH) | 75.1 |
| 2''' (CH) | 78.7 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 78.3 |
| 6''' (CH2) | 62.6 |
