Spektraris NMR
Fupenzic acid acetate
Common Name: Fupenzic acid acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-23-28(5)17-21(38-19(2)33)25(34)27(3,4)22(28)12-13-30(23,29)7/h9,17-18,22-24,37H,10-16H2,1-8H3,(H,35,36)/t18-,22+,23-,24-,28+,29-,30-,31-,32+/m1/s1
InChIKey: InChIKey=BEZXTNUYIHQENH-QDOJPIFDSA-N
Formula: C32H46O6
Molecular Weight: 526.705253
Exact Mass: 526.329439
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hattori M., Kuo K.P., Shu Y.Z., Tezuka Y., Kikuchi T., Namba T. Phytochemistry (1988) 27, 3975
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 147.1 |
| 2 (C) | 144.7 |
| 3 (C) | 200.5 |
| 4 (C) | 47.3 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 34.6 |
| 8 (C) | 41.4 |
| 9 (CH) | 43.8 |
| 10 (C) | 43.8 |
| 11 (CH2) | 25.3 |
| 12 (CH) | 129.5 |
| 13 (C) | 141.3 |
| 14 (C) | 42.6 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 27.4 |
| 17 (C) | 48 |
| 18 (CH) | 56.1 |
| 19 (C) | 74.3 |
| 20 (CH) | 43.8 |
| 21 (CH2) | 28.1 |
| 22 (CH2) | 39.7 |
| 23 (CH3) | 29 |
| 24 (CH3) | 22.8 |
| 25 (CH3) | 21.1 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 25.5 |
| 28 (C) | 183 |
| 29 (CH3) | 27.9 |
| 30 (CH3) | 17.3 |
| 2a (C) | 171.6 |
| 2b (CH3) | 20.3 |
