Spektraris NMR
2,22beta-Dihydroxy-3-oxooleana-1,12-diene-29-oic acid
Common Name: 2,22beta-Dihydroxy-3-oxooleana-1,12-diene-29-oic acid
Synonyms: 2,22beta-Dihydroxy-3-oxooleana-1,12-diene-29-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-25(2)20-10-11-30(7)21(28(20,5)15-19(31)23(25)33)9-8-17-18-14-26(3,24(34)35)16-22(32)27(18,4)12-13-29(17,30)6/h8,15,18,20-22,31-32H,9-14,16H2,1-7H3,(H,34,35)/t18-,20-,21+,22+,26-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=QKILFMSWLLPBID-MFWVMLLYSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
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 (CH) | 128.4 |
| 2 (C) | 143.9 |
| 3 (C) | 201.2 |
| 4 (C) | 44 |
| 5 (CH) | 53.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 32.7 |
| 8 (C) | 40.5 |
| 9 (CH) | 43.1 |
| 10 (C) | 38.4 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 123 |
| 13 (C) | 143.4 |
| 14 (C) | 41.9 |
| 15 (CH2) | 25.7 |
| 16 (CH2) | 28.1 |
| 17 (C) | 37.4 |
| 18 (CH) | 43.9 |
| 19 (CH2) | 39.9 |
| 20 (C) | 42.5 |
| 21 (CH2) | 36.2 |
| 22 (CH) | 75.8 |
| 23 (CH3) | 26.5 |
| 24 (CH3) | 21.3 |
| 25 (CH3) | 20 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 25.4 |
| 28 (CH3) | 19.9 |
| 29 (C) | 184 |
| 30 (CH3) | 23.8 |
