Spektraris NMR
Lup-20(29)-ene-3beta,6beta,7beta-triol
Common Name: Lup-20(29)-ene-3beta,6beta,7beta-triol
Synonyms: Lup-20(29)-ene-3beta,6beta,7beta-triol
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-17(2)18-11-13-27(5)15-16-29(7)19(22(18)27)9-10-20-28(6)14-12-21(31)26(3,4)24(28)23(32)25(33)30(20,29)8/h18-25,31-33H,1,9-16H2,2-8H3/t18-,19+,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=OCIKTLKJZUGMBU-OOTNHZQNSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jiang, Z.H., Tanaka, T., Kouno, I. Phytochemistry (1995) 40, 1223-6
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) | 41.6 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 78.6 |
| 4 (C) | 40.4 |
| 5 (CH) | 55.4 |
| 6 (CH) | 73.1 |
| 7 (CH) | 74.3 |
| 8 (C) | 46.6 |
| 9 (CH) | 51.5 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 38.4 |
| 14 (C) | 44.7 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 36.5 |
| 17 (C) | 43.1 |
| 18 (CH) | 48.8 |
| 19 (CH) | 48.5 |
| 20 (C) | 151.3 |
| 21 (CH2) | 30.3 |
| 22 (CH2) | 40.4 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 18.24 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 11.1 |
| 27 (CH3) | 15.5 |
| 28 (CH3) | 18.19 |
| 29 (CH2) | 109.8 |
| 30 (CH3) | 19.6 |
