Spektraris NMR
3beta,13-Dihydroxyurs-11-en-28-oic acid
Common Name: 3beta,13-Dihydroxyurs-11-en-28-oic acid
Synonyms: 3beta,13-Dihydroxyurs-11-en-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18-8-14-29(24(32)33)17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,34)23(29)19(18)2/h10,15,18-23,31,34H,8-9,11-14,16-17H2,1-7H3,(H,32,33)/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=APGMOSJLBDURNK-RUOWOPRNSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, H., Sun, H.D., Zhao, S.X. Phytochemistry (1996) 42, 1665-6
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) | 38.7 |
| 2 (CH2) | 23.2 |
| 3 (CH) | 78 |
| 4 (C) | 39.6 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 18 |
| 7 (CH2) | 31 |
| 8 (C) | 42.1 |
| 9 (CH) | 53.4 |
| 10 (C) | 36.7 |
| 11 (CH) | 133.7 |
| 12 (CH) | 129.4 |
| 13 (C) | 89.4 |
| 14 (C) | 42.3 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 25.9 |
| 17 (C) | 45.2 |
| 18 (CH) | 60.6 |
| 19 (CH) | 38.7 |
| 20 (CH) | 40.4 |
| 21 (CH2) | 31.6 |
| 22 (CH2) | 32 |
| 23 (CH3) | 28.4 |
| 24 (CH3) | 16 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 19.2 |
| 27 (CH3) | 18.3 |
| 28 (C) | 179.3 |
| 29 (CH3) | 18.2 |
| 30 (CH3) | 19.4 |
