Spektraris NMR
20R,21-epoxy-3?-hydroxydammar-24-ene-23-one
Common Name: 20R,21-epoxy-3?-hydroxydammar-24-ene-23-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(2)16-20(31)17-30(18-33-30)22-10-14-28(6)21(22)8-9-24-27(5)13-12-25(32)26(3,4)23(27)11-15-29(24,28)7/h16,21-25,32H,8-15,17-18H2,1-7H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=KBLPYVJDYIZVPZ-TXNIMPHESA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lopez-Perez, J.L., Erazo, S., Delporte, C., Negrete, R., Munoz, O., Garcia, R., Backhouse, N., San Feliciano, A. Magn Reson Chem (2005) 43, 943-7
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) | 39 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 40.4 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.4 |
| 8 (C) | 39.1 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 25.4 |
| 13 (CH) | 43.6 |
| 14 (C) | 49.5 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 45.9 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 16.3 |
| 20 (C) | 59.4 |
| 21 (CH2) | 51.7 |
| 22 (CH2) | 48.1 |
| 23 (C) | 197.4 |
| 24 (CH) | 124.5 |
| 25 (C) | 156.3 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 20.9 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 15.4 |
