Spektraris NMR
2a,3b-Diacetoxy-22-oxostictane
Common Name: 2a,3b-Diacetoxy-22-oxostictane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O5/c1-20(35)38-23-19-32(8)24(30(5,6)28(23)39-21(2)36)14-16-34(10)26(32)12-11-25-31(7)18-17-29(3,4)27(37)22(31)13-15-33(25,34)9/h22-26,28H,11-19H2,1-10H3/t22-,23-,24+,25+,26+,28+,31-,32+,33+,34+/m1/s1
InChIKey: InChIKey=JPJFKTMVQAMLMW-UUTGAXQJSA-N
Formula: C34H54O5
Molecular Weight: 542.790846
Exact Mass: 542.397125
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A.L., Bremer J., Ralph J., Holland P.T., Ronaldson K.J., Jager P.M., Bird P.W. Aust J Chem (1989) 42, 243
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Stictanes; 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) | 39.1 |
| 2 (CH) | 72 |
| 3 (CH) | 81.2 |
| 4 (C) | 39.1 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 34.1 |
| 8 (C) | 41.9 |
| 9 (CH) | 46.2 |
| 10 (C) | 37.5 |
| 11 (CH2) | 22.8 |
| 12 (CH2) | 22 |
| 13 (CH) | 48.4 |
| 14 (C) | 43.3 |
| 15 (CH2) | 30.4 |
| 16 (CH2) | 17.6 |
| 17 (CH) | 55 |
| 18 (C) | 42.5 |
| 19 (CH2) | 35.7 |
| 20 (CH2) | 36.9 |
| 21 (C) | 43.8 |
| 22 (C) | 217.3 |
| 23 (CH3) | 29.5 |
| 24 (CH3) | 18 |
| 25 (CH3) | 23.7 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 13.7 |
| 29 (CH3) | 25.5 |
| 30 (CH3) | 26.5 |
| 2a (C) | 171 |
| 2b (CH3) | 21.2 |
| 3a (C) | 170.5 |
| 3b (CH3) | 20.9 |
