Spektraris NMR
13-Deacetylisodecipinone
Common Name: 13-Deacetylisodecipinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O11/c1-17(2)23-13-14-24(41-19(4)35)32(16-34)27(23)31(7,40)30(39)33(44-21(6)37)15-18(3)26(42-20(5)36)25(33)28(32)43-29(38)22-11-9-8-10-12-22/h8-14,18,23-28,34,40H,1,15-16H2,2-7H3/t18-,23+,24+,25+,26-,27-,28+,31-,32+,33+/m0/s1
InChIKey: InChIKey=IIKDCVPMTQIXNK-GIGQMYBVSA-N
Formula: C33H40O11
Molecular Weight: 612.665369
Exact Mass: 612.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zahid, M., Husani, S.R., Abbas, M., Pan, Y.J., Jassbi, A.R., Asim, M., Parvez, M., Voelter, W., Ahmad, V.U. Helv Chim Acta (2001) 84, 1980-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Myrsinanes; 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) | 45.8 |
| 2 (CH) | 27.6 |
| 3 (CH) | 80.1 |
| 4 (CH) | 55.5 |
| 5 (CH) | 71 |
| 6 (C) | 48.2 |
| 7 (CH) | 67.7 |
| 8 (CH) | 122.7 |
| 9 (CH) | 137.2 |
| 10 (C) | 147.9 |
| 11 (CH) | 45.6 |
| 12 (CH) | 45.5 |
| 13 (C) | 81.5 |
| 14 (C) | 203.1 |
| 15 (C) | 89.2 |
| 16 (CH3) | 14.8 |
| 17 (CH2) | 62.5 |
| 18 (CH2) | 112.8 |
| 19 (CH3) | 18.3 |
| 20 (CH3) | 20.8 |
| 3a (C) | 170.2 |
| 3b (CH3) | 20.3 |
| 5a (C) | 165 |
| 5b (C) | 128.4 |
| 5c (CH) | 129.2 |
| 5d (CH) | 128.4 |
| 5e (CH) | 133.1 |
| 5f (CH) | 128.4 |
| 5g (CH) | 129.2 |
| 7a (C) | 169.7 |
| 7b (CH3) | 21.2 |
| 15a (C) | 169.2 |
| 15b (CH3) | 21.2 |
