Spektraris NMR
21b,28b-Dihydroxy-3-oxo-olean-12,20(30)-diene
Common Name: 21b,28b-Dihydroxy-3-oxo-olean-12,20(30)-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O3/c1-18-15-20-19-7-8-23-26(4)11-10-24(32)25(2,3)22(26)9-12-28(23,6)27(19,5)13-14-29(20,17-30)16-21(18)31/h7,20-23,30-31H,1,8-17H2,2-6H3/t20-,21-,22-,23+,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=TZAFFNGIGHHXRX-XPKJKFCLSA-N
Formula: C29H44O3
Molecular Weight: 440.658949
Exact Mass: 440.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H.Q., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Tori, M., Takaoka, S., Jia, Y.F., Li, D. Tetrahedron (2001) 57, 8413-24
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.4 |
| 2 (CH2) | 34.2 |
| 3 (C) | 217.7 |
| 4 (C) | 47.5 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 32.2 |
| 8 (C) | 39.9 |
| 9 (CH) | 46.9 |
| 10 (C) | 36.7 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 123.6 |
| 13 (C) | 142.5 |
| 14 (C) | 41.9 |
| 15 (CH2) | 25.6 |
| 16 (CH2) | 23.6 |
| 17 (C) | 39.6 |
| 18 (CH) | 48 |
| 19 (CH2) | 41.4 |
| 20 (C) | 151.6 |
| 21 (CH) | 69.1 |
| 22 (CH2) | 45.9 |
| 23 (CH3) | 26.5 |
| 24 (CH3) | 21.3 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 25.8 |
| 28 (CH2) | 68.8 |
| 30 (CH2) | 103.6 |
