Spektraris NMR
16a,21aepoxy-olean-12-en-3b,22a,28-triol
Common Name: 16a,21aepoxy-olean-12-en-3b,22a,28-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22-30(18,16-31)23(33)24(25)34-22/h8,18-24,31-33H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=UHVLMLUQNCPVOJ-AXOVLVJBSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mandal, D., Panda, N., Kumar, S., Banerjee, S., Mandal, N.B., Sahu, N.P. Phytochemistry (2006) 67, 183-90
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) | 39.1 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 32.5 |
| 8 (C) | 40.3 |
| 9 (CH) | 47.3 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 122.6 |
| 13 (C) | 144.4 |
| 14 (C) | 41.1 |
| 15 (CH2) | 30.8 |
| 16 (CH) | 76.6 |
| 17 (C) | 49.7 |
| 18 (CH) | 41.1 |
| 19 (CH2) | 41 |
| 20 (C) | 38.1 |
| 21 (CH) | 90.7 |
| 22 (CH) | 76.4 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 29 |
| 28 (CH2) | 61 |
| 29 (CH3) | 29.8 |
| 30 (CH3) | 28.8 |
