Spektraris NMR
Oleana-9(11),12-diene-3beta,21beta,29-triol
Common Name: Oleana-9(11),12-diene-3beta,21beta,29-triol
Synonyms: Oleana-9(11),12-diene-3beta,21beta,29-triol
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)32)9-8-19-20-16-27(4,18-31)24(33)17-26(20,3)14-15-29(19,30)6/h8-9,20-21,23-24,31-33H,10-18H2,1-7H3/t20-,21-,23-,24-,26-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=GDYKDFGBOGVUGI-JAZFEKFZSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ohtani, K., Kasai, R., Yang, C.R., Yamasaki, K., Zhou, J., Tanaka, O. Phytochemistry (1994) 36, 139-45
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) | 37.9 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 77.9 |
| 4 (C) | 39.5 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 32.5 |
| 8 (C) | 43 |
| 9 (C) | 155 |
| 10 (C) | 41 |
| 11 (CH) | 116.1 |
| 12 (CH) | 121.8 |
| 13 (C) | 146.2 |
| 14 (C) | 38.7 |
| 15 (CH2) | 26.1 |
| 16 (CH2) | 28.9 |
| 17 (C) | 34.5 |
| 18 (CH) | 44.9 |
| 19 (CH2) | 41.9 |
| 20 (C) | 41.1 |
| 21 (CH) | 69.8 |
| 22 (CH2) | 45.9 |
| 23 (CH3) | 28.9 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 25.6 |
| 26 (CH3) | 21.2 |
| 27 (CH3) | 20.2 |
| 28 (CH3) | 28.8 |
| 29 (CH2) | 72 |
| 30 (CH3) | 13.9 |
