Spektraris NMR
3alpha,29-Dihydroxytirucalla-7,24-diene-21-oic acid
Common Name: 3alpha,29-Dihydroxytirucalla-7,24-diene-21-oic acid
Synonyms: 3alpha,29-Dihydroxytirucalla-7,24-diene-21-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-19(2)8-7-9-20(26(33)34)21-12-16-30(6)23-10-11-24-27(3,22(23)13-17-29(21,30)5)15-14-25(32)28(24,4)18-31/h8,10,20-22,24-25,31-32H,7,9,11-18H2,1-6H3,(H,33,34)/t20-,21-,22-,24+,25+,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=NWCRCEJGWLWBDH-NLTIPYINSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Ma, C., Nakamura, N., Hattori, M., Kakuda, H., Qiao, J., Yu, H. J Nat Prod (2000) 63, 238-42
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) | 31.2 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 70.3 |
| 4 (C) | 42.4 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 118 |
| 8 (C) | 145.7 |
| 9 (CH) | 48.5 |
| 10 (C) | 34.7 |
| 11 (CH2) | 17.7 |
| 12 (CH2) | 30.4 |
| 13 (C) | 43.3 |
| 14 (C) | 51.1 |
| 15 (CH2) | 33.6 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 49.8 |
| 18 (CH3) | 21.7 |
| 19 (CH3) | 13.8 |
| 20 (CH) | 47.7 |
| 21 (C) | 179 |
| 22 (CH2) | 32.6 |
| 23 (CH2) | 26.2 |
| 24 (CH) | 123.7 |
| 25 (C) | 132 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 21.5 |
| 29 (CH2) | 65.2 |
| 30 (CH3) | 27.3 |
