Spektraris NMR
3b,23-Dihydroxy-tirucalla-7,24-diene
Common Name: 3b,23-Dihydroxy-tirucalla-7,24-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19(2)17-21(31)18-20(3)22-11-15-30(8)24-9-10-25-27(4,5)26(32)13-14-28(25,6)23(24)12-16-29(22,30)7/h9,17,20-23,25-26,31-32H,10-16,18H2,1-8H3/t20-,21?,22-,23-,25-,26-,28+,29-,30+/m0/s1
InChIKey: InChIKey=XGDYZWWBMOUVPO-RLOHACJNSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
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) | 37.3 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 79.3 |
| 4 (C) | 39 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 24 |
| 7 (CH) | 117.9 |
| 8 (C) | 145.8 |
| 9 (CH) | 49 |
| 10 (C) | 35 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 33.9 |
| 13 (C) | 43.6 |
| 14 (C) | 51.2 |
| 15 (CH2) | 34 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 53.6 |
| 18 (CH3) | 21.8 |
| 19 (CH3) | 13.1 |
| 20 (CH) | 33.7 |
| 21 (CH3) | 19.4 |
| 22 (CH2) | 44.4 |
| 23 (CH) | 67.3 |
| 24 (CH) | 128.5 |
| 25 (C) | 135.6 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 22.4 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 14.7 |
| 30 (CH3) | 27.2 |
