Spektraris NMR
3a,20b,21b-Trihydroxyserrat-14-en-24-oic acid
Common Name: 3a,20b,21b-Trihydroxyserrat-14-en-24-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-26(2)20-9-7-17-15-27(3)13-11-22-28(4,14-12-23(32)30(22,6)25(34)35)21(27)10-8-18(17)29(20,5)16-19(31)24(26)33/h7,18-24,31-33H,8-16H2,1-6H3,(H,34,35)/t18-,19+,20-,21-,22+,23+,24+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=NIXVQLJHKANVPS-ICGMDYIPSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
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) | 70.6 |
| 4 (C) | 48.6 |
| 5 (CH) | 49.6 |
| 6 (CH2) | 21.7 |
| 7 (CH2) | 45.8 |
| 8 (C) | 37.6 |
| 9 (CH) | 62.6 |
| 10 (C) | 39.4 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 57.6 |
| 14 (C) | 139 |
| 15 (CH) | 122.8 |
| 16 (CH2) | 24.4 |
| 17 (CH) | 41.3 |
| 18 (C) | 37.8 |
| 19 (CH2) | 43.3 |
| 20 (CH) | 66.6 |
| 21 (CH) | 79.6 |
| 22 (C) | 38.9 |
| 23 (CH3) | 25.5 |
| 24 (C) | 180.7 |
| 25 (CH3) | 14.2 |
| 26 (CH3) | 20 |
| 27 (CH2) | 56.9 |
| 28 (CH3) | 14.7 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 28.7 |
