Spektraris NMR
2a,3b,22a-Triacetoxystictane
Common Name: 2a,3b,22a-Triacetoxystictane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O6/c1-21(37)40-25-20-34(9)26(32(6,7)30(25)42-23(3)39)15-17-36(11)28(34)13-12-27-33(8)19-18-31(4,5)29(41-22(2)38)24(33)14-16-35(27,36)10/h24-30H,12-20H2,1-11H3/t24-,25-,26+,27+,28+,29-,30+,33-,34+,35+,36+/m1/s1
InChIKey: InChIKey=ZNECCNSCNFGMRJ-KDFZDDFKSA-N
Formula: C36H58O6
Molecular Weight: 586.843486
Exact Mass: 586.42334
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) | 71.8 |
| 3 (CH) | 81 |
| 4 (C) | 38.7 |
| 5 (CH) | 47.6 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 34 |
| 8 (C) | 41.7 |
| 9 (CH) | 46.1 |
| 10 (C) | 37.3 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 21.4 |
| 13 (CH) | 48.6 |
| 14 (C) | 42.5 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 19.5 |
| 17 (CH) | 46.5 |
| 18 (C) | 39 |
| 19 (CH2) | 34.8 |
| 20 (CH2) | 34.8 |
| 21 (C) | 35.2 |
| 22 (CH) | 78.3 |
| 23 (CH3) | 29.4 |
| 24 (CH3) | 17.9 |
| 25 (CH3) | 23.6 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 17 |
| 28 (CH3) | 13.3 |
| 29 (CH3) | 19.5 |
| 30 (CH3) | 29.4 |
| 2a (C) | 170.8 |
| 2b (CH3) | 20.8 |
| 3a (C) | 170.7 |
| 3b (CH3) | 20.9 |
| 22a (C) | 170.2 |
| 22b (CH3) | 20.8 |
