Spektraris NMR
19beta-Methyl-3beta,7beta,21beta-trihydroxy-30-noroleana-9(11),12-diene-28-oic acid methyl ester
Common Name: 19beta-Methyl-3beta,7beta,21beta-trihydroxy-30-noroleana-9(11),12-diene-28-oic acid methyl ester
Synonyms: 19beta-Methyl-3beta,7beta,21beta-trihydroxy-30-noroleana-9(11),12-diene-28-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C31H48O5/c1-17-18(2)25-19-9-10-21-28(5)12-11-23(33)27(3,4)22(28)15-24(34)30(21,7)29(19,6)13-14-31(25,16-20(17)32)26(35)36-8/h9-10,17-18,20,22-25,32-34H,11-16H2,1-8H3/t17-,18-,20-,22-,23-,24-,25-,28+,29+,30-,31+/m0/s1
InChIKey: InChIKey=GEKQJGLEOMQULV-PWJAENLDSA-N
Formula: C31H48O5
Molecular Weight: 500.710994
Exact Mass: 500.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collins, D.O., Ruddock, P.L., Chiverton de Grasse, J., Reynolds, W.F., Reese, P.B. Phytochemistry (2002) 59, 479-88
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) | 37.5 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 78.5 |
| 4 (C) | 38.7 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 29.3 |
| 7 (CH) | 71.6 |
| 8 (C) | 41.8 |
| 9 (C) | 154.9 |
| 10 (C) | 39.1 |
| 11 (CH) | 116.7 |
| 12 (CH) | 123.9 |
| 13 (C) | 139 |
| 14 (C) | 48.8 |
| 15 (CH2) | 30.2 |
| 16 (CH2) | 25.8 |
| 17 (C) | 48.1 |
| 18 (CH) | 51 |
| 19 (CH) | 37.6 |
| 20 (CH) | 46.6 |
| 21 (CH) | 71.1 |
| 22 (CH2) | 44.5 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 24.9 |
| 26 (CH3) | 13.8 |
| 27 (CH3) | 18.3 |
| 28 (C) | 176.5 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 15.8 |
| 28a (CH3) | 51.9 |
