Spektraris NMR
Scutalpin O
Common Name: Scutalpin O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O8/c1-14(2)22(29)30-13-26-18(7-6-8-25(26)12-31-25)24(5,15(3)9-20(26)32-16(4)27)19-10-17-11-21(28)34-23(17)33-19/h14-15,17-21,23,28H,6-13H2,1-5H3/t15-,17+,18-,19+,20+,21-,23-,24+,25+,26+/m1/s1
InChIKey: InChIKey=LRLXFVKMSHWWOB-DDSDSLNRSA-N
Formula: C26H40O8
Molecular Weight: 480.592003
Exact Mass: 480.272318
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Bondi, M.L., Rosselli, S., Piozzi, F., Servettaz, O. J Nat Prod (2000) 63, 1032-4
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) | 22.1 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 32.7 |
| 4 (C) | 65 |
| 5 (C) | 45.4 |
| 6 (CH) | 71.9 |
| 7 (CH2) | 33.3 |
| 8 (CH) | 36 |
| 9 (C) | 40.1 |
| 10 (CH) | 48.5 |
| 11 (CH) | 83.6 |
| 12 (CH2) | 32 |
| 13 (CH) | 39.9 |
| 14 (CH2) | 38.7 |
| 15 (CH) | 98.6 |
| 16 (CH) | 107.3 |
| 17 (CH3) | 16.4 |
| 18 (CH2) | 48.3 |
| 19 (CH2) | 61.9 |
| 20 (CH3) | 13.9 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21.3 |
| 19a (C) | 177 |
| 19b (CH) | 34.2 |
| 19c (CH3) | 18.8 |
| 19ba (CH3) | 19 |
