Spektraris NMR
Intrapetacin B
Common Name: Intrapetacin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(35)31-24(28(37-19(4)32)40-29(31)38-20(5)33)15-23(16-25(30)31)39-27(36)21-8-10-22(34)11-9-21/h7-11,15,18,23,25-26,28-29,34-35H,1-2,12-14,16H2,3-6H3/t18-,23-,25+,26+,28+,29-,30-,31-/m1/s1
InChIKey: InChIKey=VVPBNSGOLQBLTJ-VERPJTLHSA-N
Formula: C31H38O9
Molecular Weight: 554.629206
Exact Mass: 554.251583
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) | 26.46 |
| 2 (CH) | 71.02 |
| 3 (CH) | 124.54 |
| 4 (C) | 144.33 |
| 5 (C) | 53.68 |
| 6 (CH) | 74.34 |
| 7 (CH2) | 37.4 |
| 8 (CH) | 37.55 |
| 9 (C) | 38.18 |
| 10 (CH) | 41.14 |
| 11 (CH2) | 27.64 |
| 12 (CH2) | 23.74 |
| 13 (C) | 145.06 |
| 14 (CH) | 140.21 |
| 15 (CH2) | 112.64 |
| 16 (CH2) | 115.35 |
| 17 (CH3) | 15.67 |
| 18 (CH) | 95.17 |
| 19 (CH) | 97.53 |
| 20 (CH3) | 25.42 |
| 2a (C) | 166.08 |
| 2b (C) | 122.27 |
| 2c (CH) | 132.03 |
| 2d (CH) | 115.28 |
| 2e (C) | 160.29 |
| 2f (CH) | 115.28 |
| 2g (CH) | 132.03 |
| 18a (C) | 169.9 |
| 18b (CH3) | 21.51 |
| 19a (C) | 170.18 |
| 19b (CH3) | 21.18 |
