Spektraris NMR
Lupane-3beta,20,25-triol
Common Name: Lupane-3beta,20,25-triol
Synonyms: Lupane-3beta,20,25-triol
CAS Registry Number:
InChI: InChI=1S/C30H52O3/c1-25(2)21-11-14-29(7)22(30(21,18-31)15-12-23(25)32)9-8-20-24-19(26(3,4)33)10-13-27(24,5)16-17-28(20,29)6/h19-24,31-33H,8-18H2,1-7H3/t19-,20-,21+,22+,23+,24-,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=RYICRGSYTZEZSC-LPOIFMOKSA-N
Formula: C30H52O3
Molecular Weight: 460.733211
Exact Mass: 460.391646
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yuruker, A., Orjala, J., Sticher, O., Rali, T. Phytochemistry (1998) 48, 863-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 34.8 |
| 2 (CH2) | 29 |
| 3 (CH) | 79.9 |
| 4 (C) | 39.8 |
| 5 (CH) | 57.2 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 36.1 |
| 8 (C) | 42.7 |
| 9 (CH) | 53.4 |
| 10 (C) | 42.9 |
| 11 (CH2) | 25.2 |
| 12 (CH2) | 29.2 |
| 13 (CH) | 39.3 |
| 14 (C) | 45 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 36.9 |
| 17 (C) | 45.5 |
| 18 (CH) | 49.8 |
| 19 (CH) | 51.4 |
| 20 (C) | 74 |
| 21 (CH2) | 30.5 |
| 22 (CH2) | 41.1 |
| 23 (CH3) | 29.4 |
| 24 (CH3) | 16.5 |
| 25 (CH2) | 62.7 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 15.9 |
| 28 (CH3) | 19.8 |
| 29 (CH3) | 25.3 |
| 30 (CH3) | 31.5 |
