Spektraris NMR
Corymbulosins A
Common Name: Corymbulosins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H48O8/c1-8-10-11-12-13-14-15-16-30(38)41-26-20-27-31(39-24(5)35)42-32(40-25(6)36)34(27)28(21-26)33(7,18-17-22(3)9-2)23(4)19-29(34)37/h9,13-16,20,23,26,28-29,31-32,37H,2-3,8,10-12,17-19,21H2,1,4-7H3/b14-13-,16-15-/t23-,26?,28-,29-,31-,32?,33+,34-/m1/s1
InChIKey: InChIKey=ZTSAUZOTPDUDQM-IXBGOIMSSA-N
Formula: C34H48O8
Molecular Weight: 584.741416
Exact Mass: 584.334919
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Beutler, J.A., McCall, K.L., Herbert, K., Johnson, T., Shoemaker, R.H., Boyd, M.R. Phytochemistry (2000) 55, 233-6
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) | 27.6 |
| 2 (CH) | 72.1 |
| 3 (CH) | 124.9 |
| 4 (C) | 146.1 |
| 5 (C) | 55.1 |
| 6 (CH) | 74.7 |
| 7 (CH2) | 38.1 |
| 8 (CH) | 38.5 |
| 9 (C) | 39.3 |
| 10 (CH) | 42.6 |
| 11 (CH2) | 29 |
| 12 (CH2) | 25.1 |
| 13 (C) | 147.1 |
| 14 (CH) | 141.5 |
| 15 (CH2) | 113.2 |
| 16 (CH2) | 115.5 |
| 17 (CH3) | 16 |
| 18 (CH) | 96.6 |
| 19 (CH) | 99.4 |
| 20 (CH3) | 25.8 |
| 2a (C) | 167.1 |
| 2b (CH) | 117.8 |
| 2c (CH) | 140.9 |
| 2d (CH) | 125.6 |
| 2e (CH) | 143.1 |
| 2f (CH2) | 28.3 |
| 2g (CH2) | 30.2 |
| 2h (CH2) | 32.5 |
| 2i (CH2) | 23.5 |
| 2j (CH3) | 14.4 |
| 18a (C) | 171.9 |
| 18b (CH3) | 21.1 |
| 19a (C) | 171.5 |
| 19b (CH3) | 21.9 |
