Spektraris NMR
2a-Acetoxy- 3b,22a-dihydroxystictane
Common Name: 2a-Acetoxy- 3b,22a-dihydroxystictane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O4/c1-19(33)36-21-18-30(7)22(28(4,5)26(21)35)13-15-32(9)24(30)11-10-23-29(6)17-16-27(2,3)25(34)20(29)12-14-31(23,32)8/h20-26,34-35H,10-18H2,1-9H3/t20-,21-,22+,23+,24+,25-,26+,29-,30+,31+,32+/m1/s1
InChIKey: InChIKey=QZWMMIGRNYLXMG-NHVHLFFGSA-N
Formula: C32H54O4
Molecular Weight: 502.769969
Exact Mass: 502.40221
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 |
| 2 (CH) | 75.1 |
| 3 (CH) | 81.3 |
| 4 (C) | 47.8 |
| 5 (CH) | 39.4 |
| 6 (CH2) | 19 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41.8 |
| 9 (CH) | 46.2 |
| 10 (C) | 37.5 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 21.4 |
| 13 (CH) | 48.8 |
| 14 (C) | 42.5 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 19.3 |
| 17 (CH) | 48.5 |
| 18 (C) | 38.4 |
| 19 (CH2) | 34.8 |
| 20 (CH2) | 34.9 |
| 21 (C) | 35.7 |
| 22 (CH) | 76.3 |
| 23 (CH3) | 29.5 |
| 24 (CH3) | 17 |
| 25 (CH3) | 23.6 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 17.2 |
| 28 (CH3) | 13.5 |
| 29 (CH3) | 18.6 |
| 30 (CH3) | 29.8 |
| 2a (C) | 171.5 |
| 2b (CH3) | 21.4 |
