Spektraris NMR
3a, 20b,21b-Trihydroxy-16-oxoserrat-14-en-24-oic acid
Common Name: 3a, 20b,21b-Trihydroxy-16-oxoserrat-14-en-24-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-26(2)23-18(31)13-16-14-27(3)11-9-21-28(4,12-10-22(33)30(21,6)25(35)36)20(27)8-7-17(16)29(23,5)15-19(32)24(26)34/h13,17,19-24,32-34H,7-12,14-15H2,1-6H3,(H,35,36)/t17-,19+,20-,21+,22+,23-,24+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=NMQNZKJBSYZWES-HKQBSHRDSA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yan, J., Yi, P., Chen, B., Lu, L., Li, Z., Zhang, X., Zhou, L., Qiu, M. Phytochemistry (2008) 69, 506-10
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 34.8 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 70.5 |
| 4 (C) | 48.6 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 45.9 |
| 8 (C) | 38.1 |
| 9 (CH) | 62.2 |
| 10 (C) | 39.3 |
| 11 (CH2) | 25.4 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 59.1 |
| 14 (C) | 163.7 |
| 15 (CH) | 129.3 |
| 16 (C) | 200.9 |
| 17 (CH) | 58.9 |
| 18 (C) | 45.5 |
| 19 (CH2) | 41.3 |
| 20 (CH) | 65.9 |
| 21 (CH) | 80.4 |
| 22 (C) | 38.8 |
| 23 (CH3) | 25.5 |
| 24 (C) | 180.5 |
| 25 (CH3) | 14.1 |
| 26 (CH3) | 19.8 |
| 27 (CH2) | 56.1 |
| 28 (CH3) | 16.1 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 29 |
