Spektraris NMR
Pulcherrimin E
Common Name: Pulcherrimin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H38O10/c1-20-24-16-18-43-26(24)19-25-28(20)29(44-21(2)37)30(46-32(39)23-13-9-6-10-14-23)36(42)34(25,3)17-15-27(35(36,4)33(40)41)45-31(38)22-11-7-5-8-12-22/h5-14,16,18,20,25,27-30,42H,15,17,19H2,1-4H3,(H,40,41)/t20-,25-,27-,28-,29+,30+,34+,35+,36-/m0/s1
InChIKey: InChIKey=FAUSVBIISDNTJL-CZMQKNOHSA-N
Formula: C36H38O10
Molecular Weight: 630.68229
Exact Mass: 630.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roach, J.S., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (2003) 66, 1378-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 32.9 |
| 2 (CH2) | 24.3 |
| 3 (CH) | 77 |
| 4 (C) | 53.4 |
| 5 (C) | 79.4 |
| 6 (CH) | 69 |
| 7 (CH) | 71 |
| 8 (CH) | 35.2 |
| 9 (CH) | 36.9 |
| 10 (C) | 41.6 |
| 11 (CH2) | 22.2 |
| 12 (C) | 148.7 |
| 13 (C) | 121.4 |
| 14 (CH) | 27.3 |
| 15 (CH) | 109.5 |
| 16 (CH) | 140.9 |
| 17 (CH3) | 17.1 |
| 18 (CH3) | 17.2 |
| 19 (C) | 176.4 |
| 20 (CH3) | 19.9 |
| 3a (C) | 162.1 |
| 3b (C) | 130 |
| 3c (CH) | 129.6 |
| 3d (CH) | 128.5 |
| 3e (CH) | 133.2 |
| 3f (CH) | 128.5 |
| 3g (CH) | 129.6 |
| 6a (C) | 162.1 |
| 6b (C) | 130.2 |
| 6c (CH) | 129.4 |
| 6d (CH) | 128.6 |
| 6e (CH) | 133.1 |
| 6f (CH) | 128.6 |
| 6g (CH) | 129.4 |
| 7a (C) | 171.2 |
| 7b (CH3) | 20.9 |
