Spektraris NMR
2-O-Deacetylorthosiphol J
Common Name: 2-O-Deacetylorthosiphol J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O10/c1-8-29(6)15-19(34)23-30(7)20(14-21(39-16(2)32)31(23,38)27(29)37)28(4,5)24(40-17(3)33)22(35)25(30)41-26(36)18-12-10-9-11-13-18/h8-13,20-25,35,38H,1,14-15H2,2-7H3/t20-,21+,22-,23+,24+,25-,29-,30-,31-/m0/s1
InChIKey: InChIKey=XLRIHDFQQHCYGO-FYEHOKTBSA-N
Formula: C31H38O10
Molecular Weight: 570.628611
Exact Mass: 570.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Tezuka, Y., Banskota, A.H., Adnyana, I.K., Kadota, S. Chem Pharm Bull (2003) 51, 268-75
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 77.1 |
| 2 (CH) | 65.5 |
| 3 (CH) | 78 |
| 4 (C) | 36.9 |
| 5 (CH) | 36.1 |
| 6 (CH2) | 21.2 |
| 7 (CH) | 71.2 |
| 8 (C) | 76.3 |
| 9 (CH) | 51.9 |
| 10 (C) | 43 |
| 11 (C) | 205.6 |
| 12 (CH2) | 47.3 |
| 13 (C) | 49.4 |
| 14 (C) | 208 |
| 15 (CH) | 138.4 |
| 16 (CH2) | 116.6 |
| 17 (CH3) | 25.1 |
| 18 (CH3) | 28 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 16.3 |
| 1a (C) | 166.5 |
| 1b (C) | 130 |
| 1c (CH) | 129.9 |
| 1d (CH) | 128.2 |
| 1e (CH) | 133.4 |
| 1f (CH) | 128.2 |
| 1g (CH) | 129.9 |
| 3a (C) | 171 |
| 3b (CH3) | 20.8 |
| 7a (C) | 168.3 |
| 7b (CH3) | 20.8 |
