Spektraris NMR
Dyvariabilins H
Common Name: Dyvariabilins H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-19(9-12-25-27(4,5)32-25)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h9-10,12,19-21,23,25H,11,13-18H2,1-8H3/b12-9+/t19-,20-,21-,23-,25-,28+,29-,30+/m0/s1
InChIKey: InChIKey=NHJZKKCNKMFNLM-VRWWYAQOSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Liu, H., Heilmann, J., Rali, T., Sticher, O. J Nat Prod (2001) 64, 159-63
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 38.8 |
| 2 (CH2) | 35.1 |
| 3 (C) | 215 |
| 4 (C) | 48.1 |
| 5 (CH) | 52.9 |
| 6 (CH2) | 24.9 |
| 7 (CH) | 118.6 |
| 8 (C) | 146.6 |
| 9 (CH) | 49 |
| 10 (C) | 35.6 |
| 11 (CH2) | 18.7 |
| 12 (CH2) | 34.1 |
| 13 (C) | 44.1 |
| 14 (C) | 51.9 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 29.1 |
| 17 (CH) | 53.4 |
| 18 (CH3) | 22.3 |
| 19 (CH3) | 12.8 |
| 20 (CH) | 41 |
| 21 (CH3) | 20.5 |
| 22 (CH) | 139 |
| 23 (CH) | 128.3 |
| 24 (CH) | 79.8 |
| 25 (C) | 72.7 |
| 26 (CH3) | 24.6 |
| 27 (CH3) | 26.2 |
| 28 (CH3) | 24.9 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 27.7 |
