Spektraris NMR
Isosalvisousolide
Common Name: Isosalvisousolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O7/c1-10-16(29-11(2)23)19(25)22-9-28-20(26)14(22)5-4-13-17-12(6-7-27-17)15(24)8-21(10,3)18(13)22/h5-7,10,13,16,18-19,25H,4,8-9H2,1-3H3/t10-,13+,16+,18-,19-,21+,22+/m1/s1
InChIKey: InChIKey=SPUJIEVXAJLQSE-KYANHWGJSA-N
Formula: C22H24O7
Molecular Weight: 400.422602
Exact Mass: 400.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Calderon, J.S., Sanchez, A.A., Zarate, M., Sanchez, L. Phytochemistry (1997) 45, 781-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Languidulanes; 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 (CH) | 37.8 |
| 2 (CH2) | 34.5 |
| 3 (CH) | 138.4 |
| 4 (C) | 135.8 |
| 5 (C) | 52.3 |
| 6 (CH) | 67.8 |
| 7 (CH) | 75.9 |
| 8 (CH) | 38.2 |
| 9 (C) | 39.3 |
| 10 (CH) | 47.2 |
| 11 (CH2) | 56.7 |
| 12 (C) | 193.3 |
| 13 (C) | 123.3 |
| 14 (CH) | 108.9 |
| 15 (CH) | 142.3 |
| 16 (C) | 159.1 |
| 17 (CH3) | 11.1 |
| 18 (C) | 167.7 |
| 19 (CH2) | 69.2 |
| 20 (CH3) | 14.1 |
| 7a (C) | 169.6 |
| 7b (CH3) | 21 |
