Spektraris NMR
A-nor-B-homo-oleanan-10,12-diene-3b,11a,28-triol.
Common Name: A-nor-B-homo-oleanan-10,12-diene-3b,11a,28-triol.
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18-19-14-24(33)27(4,5)20(19)8-9-29(7)25(18)23(32)15-21-22-16-26(2,3)10-12-30(22,17-31)13-11-28(21,29)6/h15,19-20,22-25,31-33H,1,8-14,16-17H2,2-7H3/t19-,20-,22+,23-,24+,25+,28-,29-,30-/m1/s1
InChIKey: InChIKey=MZPDWSBJXGWSQQ-NAURDCNTSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Noiarsa, P., Kasai, R., Otsuka, H., Ruchirawat, S. Tetrahedron (2005) 61, 2583-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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 (CH) | 45.7 |
| 2 (CH2) | 36.3 |
| 3 (CH) | 79.6 |
| 4 (C) | 44.1 |
| 5 (CH) | 52.2 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 35.7 |
| 8 (C) | 42.5 |
| 9 (CH) | 57.1 |
| 10 (C) | 148.9 |
| 11 (CH) | 67.9 |
| 12 (CH) | 127.8 |
| 13 (C) | 145.7 |
| 14 (C) | 43.1 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 23.3 |
| 17 (C) | 37.6 |
| 18 (CH) | 43 |
| 19 (CH2) | 46.5 |
| 20 (C) | 31.2 |
| 21 (CH2) | 34.6 |
| 22 (CH2) | 31.5 |
| 23 (CH3) | 27.4 |
| 24 (CH3) | 16 |
| 25 (CH2) | 110.2 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 25.8 |
| 28 (CH2) | 68.5 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.7 |
