Spektraris NMR
Turrapubesol B
Common Name: Turrapubesol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H52O6/c1-34(2)29-21-31(44-32(41)19-23-11-9-8-10-12-23)38(7)27-14-13-25(24-20-26(39)33(43-22-24)35(3,4)42)36(27,5)17-15-28(38)37(29,6)18-16-30(34)40/h8-12,14,16,18,24-26,28-29,31,33,39,42H,13,15,17,19-22H2,1-7H3/t24-,25+,26-,28-,29+,31-,33-,36+,37-,38+/m1/s1
InChIKey: InChIKey=OAGFBUUDPHLKPP-GTWHDWEKSA-N
Formula: C38H52O6
Molecular Weight: 604.817313
Exact Mass: 604.376389
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.N., Fan, C.Q., Yin, S., Lin, L.P., Ding, J., Yue, J.M. Helv Chim Acta (2008) 91, 510-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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 (CH) | 158 |
| 2 (CH) | 124.9 |
| 3 (C) | 204.4 |
| 4 (C) | 43.6 |
| 5 (CH) | 45.4 |
| 6 (CH2) | 23.2 |
| 7 (CH) | 74.7 |
| 8 (C) | 42.2 |
| 9 (CH) | 38.1 |
| 10 (C) | 39.3 |
| 11 (CH2) | 16.3 |
| 12 (CH2) | 34.2 |
| 13 (C) | 46 |
| 14 (C) | 158.4 |
| 15 (CH) | 118.9 |
| 16 (CH2) | 34.4 |
| 17 (CH) | 51.9 |
| 18 (CH3) | 19.7 |
| 19 (CH3) | 18.6 |
| 20 (CH) | 35.4 |
| 21 (CH2) | 69.7 |
| 22 (CH2) | 35.8 |
| 23 (CH) | 64 |
| 24 (CH) | 86.1 |
| 25 (C) | 73.6 |
| 26 (CH3) | 23.6 |
| 27 (CH3) | 28 |
| 28 (CH3) | 26.2 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 27 |
| 7a (C) | 170.1 |
| 7b (CH2) | 41.6 |
| 7c (C) | 133.6 |
| 7d (CH) | 128.7 |
| 7e (CH) | 128.1 |
| 7f (CH) | 126.7 |
| 7g (CH) | 128.1 |
| 7h (CH) | 128.7 |
