Spektraris NMR
Plectranthol B
Common Name: Plectranthol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H38O7/c1-18(2)14-26(35)39-29-22(19(3)4)15-20-11-13-32(6)23(27(20)28(29)36)8-7-12-31(32,5)17-38-30(37)21-9-10-24(33)25(34)16-21/h8-10,14-16,19,33-34,36H,7,11-13,17H2,1-6H3/t31-,32+/m1/s1
InChIKey: InChIKey=KSEOSOYNVOQPAA-ZWXJPIIXSA-N
Formula: C32H38O7
Molecular Weight: 534.641132
Exact Mass: 534.261754
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) | 36.2 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 36.4 |
| 4 (C) | 37.8 |
| 5 (C) | 53.5 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 33.2 |
| 8 (C) | 135 |
| 9 (C) | 133.8 |
| 10 (C) | 39.3 |
| 11 (C) | 145.8 |
| 12 (C) | 137.9 |
| 13 (C) | 134.4 |
| 14 (CH) | 118.4 |
| 15 (CH) | 27.5 |
| 16 (CH3) | 23 |
| 17 (CH3) | 23 |
| 18 (CH3) | 28 |
| 19 (CH2) | 68.4 |
| 20 (CH3) | 20.5 |
| 12a (C) | 165.1 |
| 12b (CH) | 114.2 |
| 12c (C) | 162.3 |
| 12d (CH3) | 27.8 |
| 12ad (CH3) | 20.8 |
| 19a (C) | 167.3 |
| 19b (C) | 122.6 |
| 19c (CH) | 116.5 |
| 19d (C) | 143.4 |
| 19e (C) | 148.9 |
| 19f (CH) | 114.7 |
| 19g (CH) | 123.6 |
