Spektraris NMR
Galphimine B
Common Name: Galphimine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H50O11/c1-17-8-9-29(5)10-11-30(6)25-24(45-20(4)36)26(38)32-16-43-27(39)31(25,12-13-33(30,28(40)42-7)34(29,41)15-17)22(32)14-21(37)23(18(32)2)44-19(3)35/h18,21-27,37-39,41H,1,8-16H2,2-7H3/t18-,21+,22-,23+,24-,25+,26+,27?,29+,30+,31+,32+,33-,34-/m0/s1
InChIKey: InChIKey=LBYHDBWAAYDSNV-CHKQAIOASA-N
Formula: C34H50O11
Molecular Weight: 634.755512
Exact Mass: 634.335312
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nader, B.L., Cardoso Taketa, A.T., Iturriaga, G., Pereda-Miranda, R., Villarreal, M.L. Planta Med (2004) 70, 1174-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 25.5 |
| 2 (CH) | 66.5 |
| 3 (CH) | 76.9 |
| 4 (CH) | 37.5 |
| 5 (C) | 42.7 |
| 6 (CH) | 85.4 |
| 7 (CH) | 78.7 |
| 8 (CH) | 51.6 |
| 9 (C) | 40.6 |
| 10 (CH) | 40.9 |
| 11 (CH2) | 31.1 |
| 12 (CH2) | 23.3 |
| 13 (C) | 57.4 |
| 14 (C) | 43.4 |
| 15 (CH2) | 29.9 |
| 16 (CH2) | 34.7 |
| 17 (C) | 37.5 |
| 18 (C) | 78.1 |
| 19 (CH2) | 42.5 |
| 20 (C) | 144.7 |
| 21 (CH2) | 28.6 |
| 22 (CH2) | 35.7 |
| 23 (CH3) | 13.5 |
| 24 (CH2) | 54.8 |
| 25 (CH) | 94.2 |
| 26 (CH3) | 21.7 |
| 27 (C) | 175.6 |
| 28 (CH3) | 25.5 |
| 29 (CH2) | 108.9 |
| 3a (C) | 170.5 |
| 3b (CH3) | 21.1 |
| 7a (C) | 173.9 |
| 7b (CH3) | 22.1 |
| 27a (CH3) | 51.4 |
