Spektraris NMR
3β,6β,24-trihydroxyolean-12-en-28-oic acid
Common Name: 3β,6β,24-trihydroxyolean-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-21-26(3)10-9-22(33)27(4,17-31)23(26)20(32)16-29(21,28)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=XRRLUGUSXUFEDF-UJNKUNJDSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Fang, S.Y., He, Z.S., Fan, G.J. J Nat Prod (1996) 59, 304-7
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) | 40.1 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 72.6 |
| 4 (C) | 43.4 |
| 5 (CH) | 48.7 |
| 6 (CH) | 66.9 |
| 7 (CH2) | 40.4 |
| 8 (C) | 38.5 |
| 9 (CH) | 48 |
| 10 (C) | 36.3 |
| 11 (CH2) | 23.2 |
| 12 (CH) | 122.3 |
| 13 (C) | 143.5 |
| 14 (C) | 42 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 23.1 |
| 17 (C) | 46 |
| 18 (CH) | 41.4 |
| 19 (CH2) | 45.8 |
| 20 (C) | 30.3 |
| 21 (CH2) | 33.5 |
| 22 (CH2) | 32.6 |
| 23 (CH3) | 14.1 |
| 24 (CH2) | 66.4 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 25.6 |
| 28 (C) | 179.5 |
| 29 (CH3) | 32.6 |
| 30 (CH3) | 23.1 |
