Spektraris NMR
Ilexhainanin D
Common Name: Ilexhainanin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O7/c1-25(2)12-14-29(23(34)35)15-13-27(4)17(21(29)22(25)33)6-7-18-26(3)10-9-20(32)30(16-31,24(36)37)19(26)8-11-28(18,27)5/h6,18-22,31-33H,7-16H2,1-5H3,(H,34,35)(H,36,37)/t18-,19-,20+,21-,22+,26-,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=HHASUBSYZJPQLE-YITHWGPXSA-N
Formula: C30H46O7
Molecular Weight: 518.683186
Exact Mass: 518.324354
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, S.-X., Yang, J.-S., Liua, F.-C., Tu, P.-F. Helv Chim Acta (2007) 90, 121-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.3 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 73 |
| 4 (C) | 55.1 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 33.6 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.8 |
| 11 (CH2) | 24.3 |
| 12 (CH) | 123 |
| 13 (C) | 144.8 |
| 14 (C) | 42.2 |
| 15 (CH2) | 29.1 |
| 16 (CH2) | 27 |
| 17 (C) | 46 |
| 18 (CH) | 44.8 |
| 19 (CH) | 81 |
| 20 (C) | 35.5 |
| 21 (CH2) | 28.4 |
| 22 (CH2) | 33.3 |
| 23 (CH2) | 64.3 |
| 24 (C) | 179.2 |
| 25 (CH3) | 14.1 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 24.6 |
| 28 (C) | 180.8 |
| 29 (CH3) | 28.8 |
| 30 (CH3) | 24.8 |
