Spektraris NMR
Intrapetacin A
Common Name: Intrapetacin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O8/c1-7-17(2)12-13-29(5)18(3)14-25(33)30-23(27(35-6)38-28(30)36-19(4)31)15-22(16-24(29)30)37-26(34)20-8-10-21(32)11-9-20/h7-11,15,18,22,24-25,27-28,32-33H,1-2,12-14,16H2,3-6H3/t18-,22-,24+,25+,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=NXJIENULLHZFNA-NTICDAHTSA-N
Formula: C30H38O8
Molecular Weight: 526.619065
Exact Mass: 526.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oberlies, N.H., Burgess, J.P., Navarro, H.A., Pinos, R.E., Soejarto, D.D., Farnsworth, N.R., Kinghorn, A.D., Wani, M.C., Wall, M.E. J Nat Prod (2001) 64, 497-501
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 26.58 |
| 2 (CH) | 71.29 |
| 3 (CH) | 124.37 |
| 4 (C) | 145.32 |
| 5 (C) | 53.61 |
| 6 (CH) | 74.6 |
| 7 (CH2) | 37.42 |
| 8 (CH) | 37.52 |
| 9 (C) | 38.16 |
| 10 (CH) | 41.1 |
| 11 (CH2) | 27.66 |
| 12 (CH2) | 23.74 |
| 13 (C) | 145.24 |
| 14 (CH) | 140.21 |
| 15 (CH2) | 112.66 |
| 16 (CH2) | 115.28 |
| 17 (CH3) | 15.67 |
| 18 (CH) | 104.2 |
| 19 (CH) | 97.2 |
| 20 (CH3) | 25.46 |
| 2a (C) | 166.03 |
| 2b (C) | 122.43 |
| 2c (CH) | 132 |
| 2d (CH) | 115.23 |
| 2e (C) | 160.29 |
| 2f (CH) | 115.23 |
| 2g (CH) | 132 |
| 18a (CH3) | 56.25 |
| 19a (C) | 170.34 |
| 19b (CH3) | 21.59 |
