Spektraris NMR
20,24-Epoxy-24-methoxy-23(24-25)abeo-dammaran-3-one
Common Name: 20,24-Epoxy-24-methoxy-23(24-25)abeo-dammaran-3-one
Synonyms: 20,24-Epoxy-24-methoxy-23(24-25)abeo-dammaran-3-one
CAS Registry Number:
InChI: InChI=1S/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20-,21+,22+,23-,25+,28+,29-,30-,31+/m1/s1
InChIKey: InChIKey=AVUFEQKMVHVFSN-QQYBYBOWSA-N
Formula: C31H52O3
Molecular Weight: 472.743947
Exact Mass: 472.391646
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) | 39.9 |
| 2 (CH2) | 34.1 |
| 3 (C) | 218.1 |
| 4 (C) | 47.4 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 34.5 |
| 8 (C) | 40.2 |
| 9 (CH) | 49.9 |
| 10 (C) | 36.8 |
| 11 (CH2) | 22 |
| 12 (CH2) | 24 |
| 13 (CH) | 42.9 |
| 14 (C) | 50.5 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 44.2 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 16 |
| 20 (C) | 77.9 |
| 21 (CH3) | 24 |
| 22 (CH2) | 30.9 |
| 23 (CH2) | 32.2 |
| 24 (CH) | 104.2 |
| 25 (C) | 33.3 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 20.3 |
| 28 (CH3) | 26.6 |
| 29 (CH3) | 21 |
| 30 (CH3) | 15.1 |
| 24a (CH3) | 56.4 |
