Spektraris NMR
6a-Hydroxytriptocalline A
Common Name: 6a-Hydroxytriptocalline A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O5/c1-14-11-19-26(4,24(33)22(14)31)8-10-28(6)20-13-17(29)21-15(2)23(32)18(30)12-16(21)25(20,3)7-9-27(19,28)5/h14,16-20,24,29-30,33H,7-13H2,1-6H3/t14-,16-,17+,18+,19-,20+,24-,25+,26-,27+,28-/m1/s1
InChIKey: InChIKey=OULQBFCIZRSZEA-ZHCZBSGVSA-N
Formula: C28H42O5
Molecular Weight: 458.631141
Exact Mass: 458.303224
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, G.Z., Li, Y.C. Helv Chim Acta (2002) 85, 168-74
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 29.6 |
| 2 (CH) | 72.4 |
| 3 (C) | 202.3 |
| 4 (C) | 129.5 |
| 5 (C) | 157.8 |
| 6 (CH) | 65.4 |
| 7 (CH2) | 29.9 |
| 8 (CH) | 40.9 |
| 9 (C) | 38.5 |
| 10 (CH) | 48.9 |
| 11 (CH2) | 33.4 |
| 12 (CH2) | 29.5 |
| 13 (C) | 39.3 |
| 14 (C) | 40.6 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 29.8 |
| 17 (C) | 45.2 |
| 18 (CH) | 45.8 |
| 19 (CH2) | 32 |
| 20 (CH) | 41.7 |
| 21 (C) | 214.1 |
| 22 (CH) | 78.1 |
| 23 (CH3) | 11.1 |
| 25 (CH3) | 17 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 19.3 |
| 28 (CH3) | 25.9 |
| 30 (CH3) | 15.4 |
