Spektraris NMR
18-Hydroxystemaran-19-oic acid
Common Name: 18-Hydroxystemaran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-17-7-3-8-19(12-21,16(22)23)15(17)5-4-14-10-18(2,24)13-6-9-20(14,17)11-13/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15-,17+,18-,19+,20-/m1/s1
InChIKey: InChIKey=BSCJVWDPYRYTII-DJARASTASA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, A.R., Reese, P.B. Phytochemistry (2002) 59, 57-62
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stemaranes; 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) | 30.2 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 36.9 |
| 4 (C) | 47.4 |
| 5 (CH) | 44 |
| 6 (CH2) | 24.7 |
| 7 (CH2) | 30 |
| 8 (CH) | 39.1 |
| 9 (C) | 51 |
| 10 (C) | 42.4 |
| 11 (CH2) | 28.3 |
| 12 (CH) | 47.1 |
| 13 (C) | 73.9 |
| 14 (CH2) | 39.2 |
| 15 (CH3) | 29.7 |
| 16 (CH2) | 25.6 |
| 17 (CH2) | 27.5 |
| 18 (CH2) | 62 |
| 19 (C) | 183.4 |
| 20 (CH3) | 17.4 |
