Spektraris NMR
3b-Acetyl-20,25-epoxydammarane-24a-ol
Common Name: 3b-Acetyl-20,25-epoxydammarane-24a-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O4/c1-20(33)35-26-15-16-29(6)23(27(26,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-14-25(34)28(4,5)36-32/h21-26,34H,10-19H2,1-9H3/t21-,22+,23?,24-,25+,26+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=TVDGNOQUKHVJSM-YIZCWAHASA-N
Formula: C32H54O4
Molecular Weight: 502.769969
Exact Mass: 502.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rouf A.S., Ozaki Y., Rashid M.A., Rui J. Phytochemistry (2001) 56, 815-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 38.7 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.9 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.4 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 42.9 |
| 14 (C) | 50 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 25.7 |
| 17 (CH) | 49.5 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 16.4 |
| 20 (C) | 86.3 |
| 21 (CH3) | 23.5 |
| 22 (CH2) | 35.7 |
| 23 (CH2) | 26.1 |
| 24 (CH) | 83.3 |
| 25 (C) | 71.4 |
| 26 (CH3) | 24.3 |
| 27 (CH3) | 27.4 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 16.2 |
| 30 (CH3) | 16.4 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
