Spektraris NMR
(22S)-3beta,22-Dihydroxytirucalla-7,24-diene-23-one
Common Name: (22S)-3beta,22-Dihydroxytirucalla-7,24-diene-23-one
Synonyms: (22S)-3beta,22-Dihydroxytirucalla-7,24-diene-23-one
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18(2)17-23(31)26(33)19(3)20-11-15-30(8)22-9-10-24-27(4,5)25(32)13-14-28(24,6)21(22)12-16-29(20,30)7/h9,17,19-21,24-26,32-33H,10-16H2,1-8H3/t19-,20+,21+,24+,25+,26+,28-,29+,30-/m1/s1
InChIKey: InChIKey=VLJVSIPTYGANIN-YWCQBWSOSA-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) | 37.2 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 79.3 |
| 4 (C) | 39 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 24 |
| 7 (CH) | 118 |
| 8 (C) | 145.7 |
| 9 (CH) | 49.1 |
| 10 (C) | 35 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 33.6 |
| 13 (C) | 43.4 |
| 14 (C) | 51.4 |
| 15 (CH2) | 34 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 49 |
| 18 (CH3) | 21.9 |
| 19 (CH3) | 13.1 |
| 20 (CH) | 39.6 |
| 21 (CH3) | 12 |
| 22 (CH) | 80.7 |
| 23 (C) | 201.4 |
| 24 (CH) | 119.3 |
| 25 (C) | 159.3 |
| 26 (CH3) | 26.7 |
| 27 (CH3) | 21.3 |
| 28 (CH3) | 27.2 |
| 29 (CH3) | 14.7 |
| 30 (CH3) | 27.4 |
