Spektraris NMR
1O'β-Hydroxycryptoquinone
Common Name: 1O'β-Hydroxycryptoquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O4/c1-14(2)17-20-18-19(26(34)30(20)12-11-29(15(3)4)13-16(29)30)23(32)25-27(5,6)9-8-10-28(25,7)21(18)24(33)22(17)31/h14-16,25-26,33-34H,8-13H2,1-7H3/t16?,25-,26-,28+,29?,30?/m0/s1
InChIKey: InChIKey=OIZBVAFIPJABMK-GRHPECDHSA-N
Formula: C30H40O4
Molecular Weight: 464.637327
Exact Mass: 464.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1993) 34, 779-82
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) | 36.9 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 42.7 |
| 4 (C) | 33.6 |
| 5 (CH) | 63.7 |
| 6 (C) | 191.8 |
| 7 (C) | 144.5 |
| 8 (C) | 156.8 |
| 9 (C) | 121.8 |
| 10 (C) | 43.6 |
| 11 (C) | 143.5 |
| 12 (C) | 183.1 |
| 13 (C) | 140 |
| 14 (C) | 144.8 |
| 15 (CH) | 28.5 |
| 16 (CH3) | 20.3 |
| 17 (CH3) | 20.5 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 21.9 |
| 1' (C) | 32.9 |
| 2' (CH2) | 32.1 |
| 3' (CH2) | 26.3 |
| 4' (C) | 59.8 |
| 5' (CH) | 35 |
| 6' (CH2) | 14.2 |
| 7' (CH) | 28.6 |
| 8' (CH3) | 20 |
| 9' (CH3) | 20.1 |
| 10' (CH) | 80.2 |
