Spektraris NMR
2a,3b,7b-Trihydroxyurs-11-en-28,13b-olide
Common Name: 2a,3b,7b-Trihydroxyurs-11-en-28,13b-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-16-8-10-29-13-12-27(6)28(7)19(9-11-30(27,35-24(29)34)22(29)17(16)2)26(5)15-18(31)23(33)25(3,4)20(26)14-21(28)32/h9,11,16-23,31-33H,8,10,12-15H2,1-7H3/t16-,17+,18-,19-,20+,21+,22-,23+,26-,27+,28+,29+,30+/m1/s1
InChIKey: InChIKey=KYHQNOHGMGHELF-PFSJBZAZSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Sultana, I., Begum, S. Phytochemistry (2000) 54, 861-5
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 (CH2) | 46.9 |
| 2 (CH) | 68.6 |
| 3 (CH) | 83.9 |
| 4 (C) | 39.3 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 28.3 |
| 7 (CH) | 75 |
| 8 (C) | 48.1 |
| 9 (CH) | 53.1 |
| 10 (C) | 36.4 |
| 11 (CH) | 133.2 |
| 12 (CH) | 129.2 |
| 13 (C) | 89.5 |
| 14 (C) | 42.6 |
| 15 (CH2) | 25.6 |
| 16 (CH2) | 22.7 |
| 17 (C) | 45.2 |
| 18 (CH) | 60.7 |
| 19 (CH) | 38.2 |
| 20 (CH) | 40.3 |
| 21 (CH2) | 30.6 |
| 22 (CH2) | 31.4 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 19.4 |
| 26 (CH3) | 19.1 |
| 27 (CH3) | 16.1 |
| 28 (C) | 179.1 |
| 29 (CH3) | 17.8 |
| 30 (CH3) | 17.9 |
