Spektraris NMR
1β,3β-Dihydroxyurs-12-en-27-oic acid
Common Name: 1β,3β-Dihydroxyurs-12-en-27-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17-10-12-27(5)14-15-30(25(33)34)19(24(27)18(17)2)8-9-21-28(30,6)13-11-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20+,21+,22+,23-,24+,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=HTDSWOLCASHLBI-GKJJMWANSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Khera, S., Woldemichael, G.M., Singh, M.P., Suarez, E., Timmermann, B.N. J Nat Prod (2003) 66, 1628-31
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 80.9 |
| 2 (CH2) | 38.3 |
| 3 (CH) | 76.8 |
| 4 (C) | 39.8 |
| 5 (CH) | 54.5 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 38 |
| 8 (C) | 41.2 |
| 9 (CH) | 48.9 |
| 10 (C) | 44.4 |
| 11 (CH2) | 27.3 |
| 12 (CH) | 130.6 |
| 13 (C) | 133.9 |
| 14 (C) | 57.3 |
| 15 (CH2) | 23.5 |
| 16 (CH2) | 42.2 |
| 17 (C) | 34.7 |
| 18 (CH) | 61.6 |
| 19 (CH) | 38.8 |
| 20 (CH) | 40.9 |
| 21 (CH2) | 31.7 |
| 22 (CH2) | 30.3 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 16 |
| 25 (CH3) | 12.9 |
| 26 (CH3) | 19.4 |
| 27 (C) | 179.3 |
| 28 (CH3) | 18.5 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 29.7 |
