Spektraris NMR
Plumarellic Acid
Common Name: Plumarellic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-5-28-19(25)13-6-15-14(11(2)3)8-22(27)12(10-23)7-21(15,29-22)18-17(13)16(24)9-20(18,4)26/h6-7,14-18,23-24,26-27H,2,5,8-10H2,1,3-4H3/t14-,15-,16+,17+,18+,20+,21-,22-/m0/s1
InChIKey: InChIKey=MQJFGCVKJORDBX-PSDTUPOISA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: B+M
MHz:
Calibration:
NMR references: 13C - Stonik, V.A., Kapustina, I.I., Kalinovsky, A.I., Dmitrenok, P.S., Grebnev, B.B. Tetrahedron Lett (2002) 43, 315-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Plumarellanes; 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 (CH) | 45.8 |
| 2 (CH2) | 36.8 |
| 3 (C) | 107.3 |
| 4 (C) | 146.9 |
| 5 (CH) | 128.2 |
| 6 (C) | 85.3 |
| 7 (CH) | 56.8 |
| 8 (C) | 81.8 |
| 9 (CH2) | 51.5 |
| 10 (CH) | 73.6 |
| 11 (CH) | 46.6 |
| 12 (C) | 132.7 |
| 13 (CH) | 140 |
| 14 (CH) | 42.9 |
| 15 (C) | 146.3 |
| 16 (CH2) | 114.6 |
| 17 (CH3) | 20.5 |
| 18 (CH2) | 58.7 |
| 19 (CH3) | 26.9 |
| 20 (C) | 169.3 |
| 20a (CH2) | 61.8 |
| 20b (CH3) | 15 |
