Spektraris NMR
3b,25-Dihydroxy-tirucalla-7,23-diene
Common Name: 3b,25-Dihydroxy-tirucalla-7,23-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(18-31)16-21(32)17-20(2)22-10-14-30(7)24-8-9-25-27(3,4)26(33)12-13-28(25,5)23(24)11-15-29(22,30)6/h8,16,20-23,25,31-32H,9-15,17-18H2,1-7H3/b19-16+/t20-,21?,22-,23-,25-,28+,29-,30+/m0/s1
InChIKey: InChIKey=NICYEWKTZSBFFV-CMCOTIAPSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Luo, X.D., Wu, S.H., Ma, Y.B., Wu, D.G. Phytochemistry (2000) 54, 801-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 38.4 |
| 2 (CH2) | 34.8 |
| 3 (C) | 216.7 |
| 4 (C) | 47.8 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 117.9 |
| 8 (C) | 145.8 |
| 9 (CH) | 48.4 |
| 10 (C) | 35 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 33.8 |
| 13 (C) | 43.5 |
| 14 (C) | 51.3 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 53.7 |
| 18 (CH3) | 22.2 |
| 19 (CH3) | 12.7 |
| 20 (CH) | 33 |
| 21 (CH3) | 19.2 |
| 22 (CH2) | 43.2 |
| 23 (CH) | 66.7 |
| 24 (CH) | 127.9 |
| 25 (C) | 138.2 |
| 26 (CH2) | 67.9 |
| 27 (CH3) | 21.5 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 14.1 |
| 30 (CH3) | 27.4 |
