Spektraris NMR
1a,7a,15-trihydroxyneocleroda-3,13-dien-16,15:18,19-diolide
Common Name: 1a,7a,15-trihydroxyneocleroda-3,13-dien-16,15:18,19-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O7/c1-10-14(22)8-20-9-26-18(25)12(20)3-4-13(21)16(20)19(10,2)6-5-11-7-15(23)27-17(11)24/h3,7,10,13-16,21-23H,4-6,8-9H2,1-2H3/t10-,13+,14-,15?,16-,19+,20-/m1/s1
InChIKey: InChIKey=GMGAHTBITASRRA-AYLSUALRSA-N
Formula: C20H26O7
Molecular Weight: 378.417012
Exact Mass: 378.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cenal, J.P., Giordano, O.S., Rossomando, P.C., Tonn, C.E. J Nat Prod (1997) 60, 490-2
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 (CH) | 63.2 |
| 2 (CH2) | 35.4 |
| 3 (CH) | 129.4 |
| 4 (C) | 137.7 |
| 5 (C) | 38.6 |
| 6 (CH2) | 41.1 |
| 7 (CH) | 71.6 |
| 8 (CH) | 49.6 |
| 9 (C) | 44.2 |
| 10 (CH) | 41 |
| 11 (CH2) | 36.4 |
| 12 (CH2) | 19.1 |
| 13 (C) | 136.9 |
| 14 (CH) | 143.7 |
| 15 (CH) | 97.2 |
| 16 (C) | 171.1 |
| 17 (CH3) | 11.6 |
| 18 (C) | 170.6 |
| 19 (CH2) | 74.6 |
| 20 (CH3) | 20 |
