Spektraris NMR
(24S)-3alpha,24,25-Trihydroxytirucalla-8-ene-21-oic acid
Common Name: (24S)-3alpha,24,25-Trihydroxytirucalla-8-ene-21-oic acid
Synonyms: (24S)-3alpha,24,25-Trihydroxytirucalla-8-ene-21-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-26(2)22-10-9-21-20(28(22,5)15-14-23(26)31)13-17-29(6)19(12-16-30(21,29)7)18(25(33)34)8-11-24(32)27(3,4)35/h18-19,22-24,31-32,35H,8-17H2,1-7H3,(H,33,34)/t18-,19-,22-,23+,24-,28+,29-,30+/m0/s1
InChIKey: InChIKey=TUEMBEZTCGUGMB-AJYJWUHQSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, Y., Abreu, P. Phytochemistry (2006) 67, 1309-15
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) | 30.6 |
| 2 (CH2) | 26 |
| 3 (CH) | 75.8 |
| 4 (C) | 37.6 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 25.7 |
| 8 (C) | 133.1 |
| 9 (C) | 134.3 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 30 |
| 13 (C) | 44.1 |
| 14 (C) | 49.7 |
| 15 (CH2) | 27.1 |
| 16 (CH2) | 29.8 |
| 17 (CH) | 44.7 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 19.8 |
| 20 (CH) | 43.2 |
| 21 (C) | 175.2 |
| 22 (CH2) | 30 |
| 23 (CH2) | 29.7 |
| 24 (CH) | 83 |
| 25 (C) | 71 |
| 26 (CH3) | 24.2 |
| 27 (CH3) | 26 |
| 28 (CH3) | 28 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 24.2 |
