Spektraris NMR
2h,3h,15a,21h-olean-12-ene-2,3,15,21-tetrol
Common Name: 2h,3h,15a,21h-olean-12-ene-2,3,15,21-tetrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-25(2)13-18-17-9-10-21-28(6)14-19(31)24(34)26(3,4)20(28)11-12-29(21,7)30(17,8)23(33)16-27(18,5)15-22(25)32/h9,18-24,31-34H,10-16H2,1-8H3/t18-,19-,20-,21+,22-,23-,24-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=VNFGCZMDJKHZSB-TWHQWURBSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tostao, M., Noronha, J.P., Cabrita, E.J., Medeiros, J., Justino, J., Bermejo, J., Rauter, A.P. Fitoterapia (2005) 76, 173-80
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) | 44.18 |
| 2 (CH) | 71.05 |
| 3 (CH) | 78.39 |
| 4 (C) | 40.1 |
| 5 (CH) | 55.11 |
| 6 (CH2) | 18.08 |
| 7 (CH2) | 31.97 |
| 8 (C) | 41.08 |
| 9 (CH) | 47.24 |
| 10 (C) | 38.1 |
| 11 (CH2) | 23.63 |
| 12 (CH) | 123.12 |
| 13 (C) | 142.06 |
| 14 (C) | 42.8 |
| 15 (CH) | 66.99 |
| 16 (CH2) | 35.63 |
| 17 (C) | 36.5 |
| 18 (CH) | 45.87 |
| 19 (CH2) | 49.25 |
| 20 (C) | 32.5 |
| 21 (CH) | 78.84 |
| 22 (CH2) | 43.31 |
| 23 (CH3) | 29.69 |
| 24 (CH3) | 17.29 |
| 25 (CH3) | 16.44 |
| 26 (CH3) | 16.75 |
| 27 (CH3) | 27.48 |
| 28 (CH3) | 18.67 |
| 29 (CH3) | 33.31 |
| 30 (CH3) | 24.94 |
