Spektraris NMR
(20S,25S)-20,25-Epoxy-25-methoxy-24,24-dimethyl-26,27-dinordammarane-3alpha-ol acetate
Common Name: (20S,25S)-20,25-Epoxy-25-methoxy-24,24-dimethyl-26,27-dinordammarane-3alpha-ol acetate
Synonyms: (20S,25S)-20,25-Epoxy-25-methoxy-24,24-dimethyl-26,27-dinordammarane-3alpha-ol acetate
CAS Registry Number:
InChI: InChI=1S/C33H56O4/c1-21(34)36-26-15-16-30(6)24(29(26,4)5)14-18-32(8)25(30)12-11-22-23(13-17-31(22,32)7)33(9)20-19-28(2,3)27(35-10)37-33/h22-27H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,27+,30+,31-,32-,33+/m1/s1
InChIKey: InChIKey=KSVINLQQVJYVHP-XBVQRWQCSA-N
Formula: C33H56O4
Molecular Weight: 516.796587
Exact Mass: 516.41786
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, S.M., Tan, C.H., Luo, H.F., Wang, D.X., Zhu, D.Y. Helv Chim Acta (2008) 91, 333-7
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) | 34.2 |
| 2 (CH2) | 22.8 |
| 3 (CH) | 78.3 |
| 4 (C) | 37.1 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 18 |
| 7 (CH2) | 35 |
| 8 (C) | 40.5 |
| 9 (CH) | 50.3 |
| 10 (C) | 36.7 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 24 |
| 13 (CH) | 42.6 |
| 14 (C) | 50.6 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 43.8 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 16 |
| 20 (C) | 78 |
| 21 (CH3) | 24 |
| 22 (CH2) | 30.9 |
| 23 (CH2) | 32.3 |
| 24 (CH) | 104.2 |
| 25 (C) | 33.3 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 20.2 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 15.4 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.4 |
| 24a (CH3) | 56.4 |
