Spektraris NMR
Inonotsulide A
Common Name: Inonotsulide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-26(2)22-10-9-21-20(28(22,5)15-14-23(26)31)13-17-29(6)19(12-16-30(21,29)7)18-8-11-24(27(3,4)33)34-25(18)32/h18-19,22-24,31,33H,8-17H2,1-7H3/t18-,19-,22+,23+,24+,28-,29-,30+/m1/s1
InChIKey: InChIKey=GACZXWAAWRFXNL-YFFZAEHLSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Taji, S., Yamada, T., In, Y., Wada, S., Usami, Y., Sakuma, K., Tanaka, R. Helv Chim Acta (2007) 90, 2047-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.5 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.8 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 26.4 |
| 8 (C) | 133.8 |
| 9 (C) | 134.8 |
| 10 (C) | 37 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 29 |
| 13 (C) | 22.5 |
| 14 (C) | 49.6 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 25.7 |
| 17 (CH) | 43.5 |
| 18 (CH3) | 26.5 |
| 19 (CH3) | 19.1 |
| 20 (CH) | 39.6 |
| 21 (C) | 174.9 |
| 22 (CH2) | 23.2 |
| 23 (CH2) | 20.5 |
| 24 (CH) | 84.9 |
| 25 (C) | 71.5 |
| 26 (CH3) | 23.9 |
| 27 (CH3) | 25.9 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 24.5 |
