Spektraris NMR
Scupontin B
Common Name: Scupontin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O11/c1-18-12-26(42-22(5)34)32(17-38-27(35)13-20(3)41-28(36)14-19(2)40-21(4)33)24(8-7-10-31(32)16-39-31)30(18,6)25-15-23-9-11-37-29(23)43-25/h9,11,18-20,23-26,29H,7-8,10,12-17H2,1-6H3/t18-,19-,20-,23-,24-,25+,26+,29+,30+,31+,32+/m1/s1
InChIKey: InChIKey=LSEZGUSNRPXEKV-CXWOTFJLSA-N
Formula: C32H46O11
Molecular Weight: 606.702278
Exact Mass: 606.304012
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B., delaTorre, M.C., Jimeno, M.L., Bruno, M., Vassallo, N., Bondi, M., Piozzi, F., Servettaz, O. J Nat Prod (1997) 60, 348-55
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) | 22.2 |
| 2 (CH2) | 25 |
| 3 (CH2) | 32.7 |
| 4 (C) | 64.9 |
| 5 (C) | 45.5 |
| 6 (CH) | 71.9 |
| 7 (CH2) | 33.4 |
| 8 (CH) | 36.2 |
| 9 (C) | 40 |
| 10 (CH) | 48.4 |
| 11 (CH) | 84.5 |
| 12 (CH2) | 31.2 |
| 13 (CH) | 46 |
| 14 (CH) | 101.9 |
| 15 (CH) | 146.9 |
| 16 (CH) | 107.7 |
| 17 (CH3) | 16.4 |
| 18 (CH2) | 48.6 |
| 19 (CH2) | 61.9 |
| 20 (CH3) | 14.1 |
| 6a (C) | 170.1 |
| 6b (CH3) | 21.1 |
| 19a (C) | 169.9 |
| 19b (CH2) | 41 |
| 19c (CH) | 67.6 |
| 19d (C) | 170.1 |
| 19e (CH2) | 40.8 |
| 19f (CH) | 67.2 |
| 19g (C) | 169.3 |
| 19h (CH3) | 21.3 |
| 19i (CH3) | 19.8 |
| 19j (CH3) | 19.9 |
