Spektraris NMR
3alpha,28-Dihydroxyoleana-12-ene-29-oic acid
Common Name: 3alpha,28-Dihydroxyoleana-12-ene-29-oic acid
Synonyms: 3alpha,28-Dihydroxyoleana-12-ene-29-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,24(33)34)13-15-30(20,18-31)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23+,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=DDJYMOPTHNUMHK-QZNVJFJLSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
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) | 33.6 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 75.2 |
| 4 (C) | 37.8 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 32.9 |
| 8 (C) | 40.3 |
| 9 (CH) | 47.7 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 123.2 |
| 13 (C) | 144.4 |
| 14 (C) | 42 |
| 15 (CH2) | 25.9 |
| 16 (CH2) | 23 |
| 17 (C) | 37.6 |
| 18 (CH) | 41.7 |
| 19 (CH2) | 41.4 |
| 20 (C) | 42.8 |
| 21 (CH2) | 29.5 |
| 22 (CH2) | 30.8 |
| 23 (CH3) | 29.2 |
| 24 (CH3) | 22.7 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17 |
| 27 (CH3) | 26 |
| 28 (CH2) | 68.3 |
| 29 (C) | 181.5 |
| 30 (CH3) | 20.1 |
