Spektraris NMR
28-Noroleana-16,21-diene-3alpha,19alpha,23,29-tetrol
Common Name: 28-Noroleana-16,21-diene-3alpha,19alpha,23,29-tetrol
Synonyms: 28-Noroleana-16,21-diene-3alpha,19alpha,23,29-tetrol
CAS Registry Number:
InChI: InChI=1S/C29H46O4/c1-25(16-30)12-8-18-9-14-28(4)19(23(18)24(25)33)6-7-21-26(2)13-11-22(32)27(3,17-31)20(26)10-15-29(21,28)5/h8-9,12,19-24,30-33H,6-7,10-11,13-17H2,1-5H3/t19-,20-,21-,22-,23-,24+,25+,26+,27+,28-,29-/m1/s1
InChIKey: InChIKey=MDSHPYCQLTVNFB-IOKRWCHISA-N
Formula: C29H46O4
Molecular Weight: 458.674235
Exact Mass: 458.33961
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kumar R., Bhan S. , Kalla A. K., Dhar K. L. Phytochemistry (1992) 31, 2797
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) | 38.1 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 78.1 |
| 4 (C) | 41.9 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 32.7 |
| 8 (C) | 39.3 |
| 9 (CH) | 46.1 |
| 10 (C) | 41.1 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 19.8 |
| 13 (CH) | 38.8 |
| 14 (C) | 43.2 |
| 15 (CH2) | 22.2 |
| 16 (CH) | 125.6 |
| 17 (C) | 140.2 |
| 18 (CH) | 42.1 |
| 19 (CH) | 66.9 |
| 20 (C) | 35.2 |
| 21 (CH) | 133.2 |
| 22 (CH) | 123.2 |
| 23 (CH2) | 65.2 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 18.2 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 27.1 |
| 29 (CH2) | 62.1 |
| 30 (CH3) | 16.1 |
