Spektraris NMR
Sugikurojin B
Common Name: Sugikurojin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H58O3/c1-24(2)27-21-29-31(22-32(27)42)41(10)19-13-17-39(7,8)37(41)36(35(29)43-11)44-33-23-30-26(20-28(33)25(3)4)14-15-34-38(5,6)16-12-18-40(30,34)9/h14-15,20-25,34-37,42H,12-13,16-19H2,1-11H3/t34?,35-,36-,37-,40-,41+/m0/s1
InChIKey: InChIKey=OPWBFTHPRICVFB-RHBRYKITSA-N
Formula: C41H58O3
Molecular Weight: 598.89895
Exact Mass: 598.438596
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Arihara, S., Umeyama, A., Bando, S., Imoto, S., Ono, M., Tani, M., Yoshikawa, K. Chem Pharm Bull (2004) 52, 354-8
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 (CH2) | 39.5 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.8 |
| 4 (C) | 34.3 |
| 5 (CH) | 55.6 |
| 6 (CH) | 78.3 |
| 7 (CH) | 81.8 |
| 8 (C) | 124.6 |
| 9 (C) | 150.8 |
| 10 (C) | 38.1 |
| 11 (CH) | 110.4 |
| 12 (C) | 153 |
| 13 (C) | 130.6 |
| 14 (CH) | 129.5 |
| 15 (CH) | 25.5 |
| 16 (CH3) | 23.2 |
| 17 (CH3) | 23.2 |
| 18 (CH3) | 35.1 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 24.7 |
| 1' (CH2) | 36.3 |
| 2' (CH2) | 19.1 |
| 3' (CH2) | 41.1 |
| 4' (C) | 32.9 |
| 5' (CH) | 51 |
| 6' (CH) | 127.2 |
| 7' (CH) | 127.4 |
| 8' (C) | 125.5 |
| 9' (C) | 147 |
| 10' (C) | 37.9 |
| 11' (CH) | 106.6 |
| 12' (C) | 152.9 |
| 13' (C) | 134.8 |
| 14' (CH) | 124.5 |
| 15' (CH) | 26.5 |
| 16' (CH3) | 22.5 |
| 17' (CH3) | 22.6 |
| 18' (CH3) | 32.6 |
| 19' (CH3) | 22.7 |
| 20' (CH3) | 20.4 |
| 7a (CH3) | 55.1 |
