Spektraris NMR
11a-Methoxy-olean-12-ene-1b,3b,28-triol
Common Name: 11a-Methoxy-olean-12-ene-1b,3b,28-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O4/c1-26(2)11-13-31(18-32)14-12-28(5)19(20(31)17-26)15-21(35-8)25-29(28,6)10-9-22-27(3,4)23(33)16-24(34)30(22,25)7/h15,20-25,32-34H,9-14,16-18H2,1-8H3/t20-,21+,22-,23-,24+,25-,28+,29+,30+,31+/m0/s1
InChIKey: InChIKey=VQGYJAXISTYISP-SZXOOLOOSA-N
Formula: C31H52O4
Molecular Weight: 488.743352
Exact Mass: 488.38656
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Noiarsa, P., Ruchirawat, S., Kasai, R., Otsuka, H. Phytochemistry (2004) 65, 2613-8
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 (CH) | 77.2 |
| 2 (CH2) | 37.2 |
| 3 (CH) | 75.2 |
| 4 (C) | 39.6 |
| 5 (CH) | 52.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 31.6 |
| 8 (C) | 41.7 |
| 9 (CH) | 50.2 |
| 10 (C) | 45.1 |
| 11 (CH) | 74.3 |
| 12 (CH) | 121.9 |
| 13 (C) | 152 |
| 14 (C) | 44.1 |
| 15 (CH2) | 26.5 |
| 16 (CH2) | 22.7 |
| 17 (C) | 37.3 |
| 18 (CH) | 42.4 |
| 19 (CH2) | 47 |
| 20 (C) | 31.3 |
| 21 (CH2) | 34.5 |
| 22 (CH2) | 33.3 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 13.5 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 24.5 |
| 28 (CH2) | 68.6 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.7 |
| 11a (CH3) | 51.3 |
