Spektraris NMR
Sugikurojin I
Common Name: Sugikurojin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H50O3/c1-21(2)26(12-10-23(5)36)29-17-24(11-13-31(29)37)16-25-18-33-34(6,7)14-9-15-35(33,8)30-20-32(38)27(22(3)4)19-28(25)30/h11,13,17,19-22,25-26,33,37-38H,9-10,12,14-16,18H2,1-8H3/t25-,26+,33+,35-/m1/s1
InChIKey: InChIKey=ZDSLWUSUAIVAMQ-KPMCXPJVSA-N
Formula: C35H50O3
Molecular Weight: 518.771009
Exact Mass: 518.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Suzuki, K., Umeyama, A., Arihara, S. Chem Pharm Bull (2006) 54, 574-8
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) | 38.7 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 41.7 |
| 4 (C) | 33.3 |
| 5 (CH) | 45 |
| 6 (CH2) | 21.7 |
| 7 (CH) | 39.7 |
| 8 (C) | 130.8 |
| 9 (C) | 148.7 |
| 10 (C) | 37.9 |
| 11 (CH) | 110.8 |
| 12 (C) | 151 |
| 13 (C) | 131.6 |
| 14 (CH) | 127.3 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 22.6 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 24.9 |
| 1' (C) | 152.3 |
| 2' (CH) | 115.8 |
| 3' (CH) | 127.6 |
| 4' (C) | 133.6 |
| 5' (CH) | 128.8 |
| 6' (C) | 129 |
| 7' (CH) | 44.2 |
| 8' (CH2) | 26.8 |
| 9' (CH2) | 41.8 |
| 10' (C) | 210.7 |
| 11' (CH) | 33 |
| 12' (CH3) | 21.2 |
| 13' (CH3) | 20.9 |
| 14' (CH2) | 43.9 |
| 15' (CH3) | 30.1 |
