Spektraris NMR
1alpha,3beta,23-Trihydroxyolean-12-en-28-oic acid
Common Name: 1alpha,3beta,23-Trihydroxyolean-12-en-28-oic acid
Synonyms: 1alpha,3beta,23-Trihydroxyolean-12-en-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-27(4)18(19(30)16-25)7-8-21-28(27,5)10-9-20-26(3,17-31)22(32)15-23(33)29(20,21)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21-,22-,23-,26-,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=YHNHSSDLPGLYQH-XPVPJBKJSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Fullas, F., Wani, M.C., Wall, M.E., Tucker, J.C., Beecher, C.W.W., Kinghorn, A.D. Phytochemistry (1996) 43, 1303-5
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) | 68.9 |
| 2 (CH2) | 47.7 |
| 3 (CH) | 78.2 |
| 4 (C) | 42.2 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40 |
| 9 (CH) | 48.2 |
| 10 (C) | 43.6 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 123.7 |
| 13 (C) | 144.9 |
| 14 (C) | 38.5 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.9 |
| 17 (C) | 46.6 |
| 18 (CH) | 42.2 |
| 19 (CH2) | 46.4 |
| 20 (C) | 30.9 |
| 21 (CH2) | 34.2 |
| 22 (CH2) | 33.2 |
| 23 (CH2) | 66.5 |
| 24 (CH3) | 14.3 |
| 25 (CH3) | 14.3 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 26.1 |
| 28 (C) | 180.2 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.7 |
