Spektraris NMR
Corymbulosins B
Common Name: Corymbulosins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O8/c1-8-10-11-12-13-14-15-16-30(38)41-29-19-23(4)33(7,18-17-22(3)9-2)28-21-26(37)20-27-31(39-24(5)35)42-32(34(27,28)29)40-25(6)36/h9,20,23,26,28-29,31-32,37H,2-3,8,10-19,21H2,1,4-7H3/t23-,26-,28-,29-,31-,32?,33+,34-/m1/s1
InChIKey: InChIKey=DLGWDWAHHHQPPW-MXGCBLPMSA-N
Formula: C34H52O8
Molecular Weight: 588.773179
Exact Mass: 588.366219
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) | 29.4 |
| 2 (CH) | 63.7 |
| 3 (CH) | 126.4 |
| 4 (C) | 142.3 |
| 5 (C) | 52.1 |
| 6 (CH) | 73.7 |
| 7 (CH2) | 33 |
| 8 (CH) | 36.6 |
| 9 (C) | 37.3 |
| 10 (CH) | 36.1 |
| 11 (CH2) | 27.9 |
| 12 (CH2) | 23.7 |
| 13 (C) | 145.1 |
| 14 (CH) | 140.2 |
| 15 (CH2) | 112.5 |
| 16 (CH2) | 115.3 |
| 17 (CH3) | 15.5 |
| 18 (CH) | 95.2 |
| 19 (CH) | 98.2 |
| 20 (CH3) | 25.4 |
| 6a (C) | 173.2 |
| 6b (CH2) | 24.7 |
| 6c (CH2) | 34.6 |
| 6d (CH2) | 29.2 |
| 6e (CH2) | 29.2 |
| 6f (CH2) | 29.2 |
| 6g (CH2) | 29 |
| 6h (CH2) | 31.7 |
| 6i (CH2) | 22.6 |
| 6j (CH3) | 14 |
| 18a (C) | 170 |
| 18b (CH3) | 21.2 |
| 19a (C) | 169.9 |
| 19b (CH3) | 21.6 |
