Spektraris NMR
3α,21α-Dihydroxyserrat-14-en-24-oic acid
Common Name: 3α,21α-Dihydroxyserrat-14-en-24-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-26(2)20-9-7-18-17-27(3)14-11-22-29(5,16-13-24(32)30(22,6)25(33)34)21(27)10-8-19(18)28(20,4)15-12-23(26)31/h7,19-24,31-32H,8-17H2,1-6H3,(H,33,34)/t19-,20-,21-,22+,23-,24+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=RGIWJHUJDHZDIN-XNBZNFEESA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, H., Tan, C.H., Jiang, S.H., Zhu, D.Y. J Nat Prod (2003) 66, 1328-32
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) | 49.7 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 45.8 |
| 8 (C) | 37.6 |
| 9 (CH) | 62.6 |
| 10 (C) | 39.4 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 57.7 |
| 14 (C) | 138.9 |
| 15 (CH) | 122.8 |
| 16 (CH2) | 24.7 |
| 17 (CH) | 50.1 |
| 18 (C) | 36.5 |
| 19 (CH2) | 37.6 |
| 20 (CH2) | 28.7 |
| 21 (CH) | 78.3 |
| 22 (C) | 39.5 |
| 23 (CH3) | 25.5 |
| 24 (C) | 180.7 |
| 25 (CH3) | 14.2 |
| 26 (CH3) | 20 |
| 27 (CH2) | 56.9 |
| 28 (CH3) | 13.8 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 28.3 |
