Spektraris NMR
Olean-12-ene-1b,3b,11a,28-tetraol
Common Name: Olean-12-ene-1b,3b,11a,28-tetraol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-25(2)10-12-30(17-31)13-11-27(5)18(19(30)16-25)14-20(32)24-28(27,6)9-8-21-26(3,4)22(33)15-23(34)29(21,24)7/h14,19-24,31-34H,8-13,15-17H2,1-7H3/t19-,20+,21-,22-,23+,24-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=JHLQPIBNWILPOI-TWAIRLKRSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
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) | 77.7 |
| 2 (CH2) | 37.3 |
| 3 (CH) | 75.4 |
| 4 (C) | 39.6 |
| 5 (CH) | 52.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 31.7 |
| 8 (C) | 41.9 |
| 9 (CH) | 57.3 |
| 10 (C) | 44.8 |
| 11 (CH) | 66.3 |
| 12 (CH) | 126.1 |
| 13 (C) | 147.4 |
| 14 (C) | 44.1 |
| 15 (CH2) | 26.3 |
| 16 (CH2) | 22.7 |
| 17 (C) | 37.3 |
| 18 (CH) | 41.8 |
| 19 (CH2) | 46.4 |
| 20 (C) | 31.1 |
| 21 (CH2) | 34.5 |
| 22 (CH2) | 33.4 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 13.6 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 25.8 |
| 28 (CH2) | 68.7 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.6 |
