Spektraris NMR
3b-Acetoxy-2a,22a-dihydroxystictane
Common Name: 3b-Acetoxy-2a,22a-dihydroxystictane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O4/c1-19(33)36-26-21(34)18-30(7)22(28(26,4)5)13-15-32(9)24(30)11-10-23-29(6)17-16-27(2,3)25(35)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=JGKNYFYBGWJMDV-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) | 43 |
| 2 (CH) | 69.7 |
| 3 (CH) | 85.6 |
| 4 (C) | 39.1 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 19 |
| 7 (CH2) | 34.1 |
| 8 (C) | 41.9 |
| 9 (CH) | 46.4 |
| 10 (C) | 37.5 |
| 11 (CH2) | 22.8 |
| 12 (CH2) | 21.5 |
| 13 (CH) | 48.9 |
| 14 (C) | 42.6 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 19.4 |
| 17 (CH) | 48.6 |
| 18 (C) | 38.5 |
| 19 (CH2) | 35.1 |
| 20 (CH2) | 35 |
| 21 (C) | 35.8 |
| 22 (CH) | 76.5 |
| 23 (CH3) | 29.5 |
| 24 (CH3) | 18 |
| 25 (CH3) | 23.9 |
| 26 (CH3) | 22.6 |
| 27 (CH3) | 17.3 |
| 28 (CH3) | 13.6 |
| 29 (CH3) | 18.6 |
| 30 (CH3) | 29.9 |
| 3a (C) | 172.5 |
| 3b (CH3) | 21.2 |
