Spektraris NMR
(23Z)-3beta,25-Dihydroxytirucalla-7,23-diene
Common Name: (23Z)-3beta,25-Dihydroxytirucalla-7,23-diene
Synonyms: (23Z)-3beta,25-Dihydroxytirucalla-7,23-diene
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-20(10-9-16-26(2,3)32)21-13-18-30(8)23-11-12-24-27(4,5)25(31)15-17-28(24,6)22(23)14-19-29(21,30)7/h9,11,16,20-22,24-25,31-32H,10,12-15,17-19H2,1-8H3/b16-9-/t20-,21-,22-,24-,25-,28+,29-,30+/m0/s1
InChIKey: InChIKey=UJGVEQGNNKXYLU-ZWERWIPFSA-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) | 37.2 |
| 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) | 33.7 |
| 13 (C) | 43.6 |
| 14 (C) | 51.2 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.6 |
| 18 (CH3) | 21.9 |
| 19 (CH3) | 13.1 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 38.9 |
| 23 (CH) | 125.6 |
| 24 (CH) | 139.4 |
| 25 (C) | 70.7 |
| 26 (CH3) | 29.9 |
| 27 (CH3) | 29.9 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 14.7 |
| 30 (CH3) | 27.2 |
