Spektraris NMR
Spinogenin C2
Common Name: Spinogenin C2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(17-31)12-14-30(24(34)35)15-13-28(4)19(20(30)16-25)6-7-22-26(2)10-9-23(33)27(3,18-32)21(26)8-11-29(22,28)5/h6,18,20-23,31,33H,7-17H2,1-5H3,(H,34,35)/t20-,21+,22+,23+,25-,26-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=KGXZYNGIOXTPCP-CJXDQPBKSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Miyakoshi, M., Isoda, S., Sato, H., Hirai, Y., Shoji, J., Ida, Y. Phytochemistry (1997) 46, 1255-9
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) | 32.8 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 72.7 |
| 4 (C) | 52.4 |
| 5 (CH) | 43.9 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 32.8 |
| 8 (C) | 40.4 |
| 9 (CH) | 47.8 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.5 |
| 13 (C) | 144.9 |
| 14 (C) | 42.4 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 24.1 |
| 17 (C) | 46.7 |
| 18 (CH) | 41.7 |
| 19 (CH2) | 42 |
| 20 (C) | 35.9 |
| 21 (CH2) | 29.6 |
| 22 (CH2) | 33 |
| 23 (CH) | 209.3 |
| 24 (CH3) | 14.8 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 26.2 |
| 28 (C) | 180.3 |
| 29 (CH3) | 28.4 |
| 30 (CH2) | 65.6 |
