Spektraris NMR
Plectranthol A
Common Name: Plectranthol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O6/c1-15(2)18-12-16-9-11-27(4)19(22(16)24(31)23(18)30)6-5-10-26(27,3)14-33-25(32)17-7-8-20(28)21(29)13-17/h6-9,11-13,15,28-31H,5,10,14H2,1-4H3/t26-,27+/m1/s1
InChIKey: InChIKey=VIWAYXHMGDZRSR-SXOMAYOGSA-N
Formula: C27H30O6
Molecular Weight: 450.524521
Exact Mass: 450.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Narukawa, Y., Shimizu, N., Shimotohno, K., Takeda, T. Chem Pharm Bull (2001) 49, 1182-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 125 |
| 2 (CH2) | 27.4 |
| 3 (CH2) | 22.7 |
| 4 (C) | 36.7 |
| 5 (C) | 43 |
| 6 (CH) | 131.6 |
| 7 (CH) | 125.6 |
| 8 (C) | 124.7 |
| 9 (C) | 116.4 |
| 10 (C) | 137.7 |
| 11 (C) | 141.6 |
| 12 (C) | 140.4 |
| 13 (C) | 133.4 |
| 14 (CH) | 116 |
| 15 (CH) | 27 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 20 |
| 19 (CH2) | 70.8 |
| 20 (CH3) | 21.6 |
| 19a (C) | 167.4 |
| 19b (C) | 122.4 |
| 19c (CH) | 116.6 |
| 19d (C) | 143.4 |
| 19e (C) | 149.1 |
| 19f (CH) | 115 |
| 19g (CH) | 123.7 |
