Spektraris NMR
Acalycixeniolide H
Common Name: Acalycixeniolide H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-13-8-9-18-21(3,26-18)11-10-15-16(20(23)25-12-17(13)15)7-5-6-14(2)19(22)24-4/h6,15-18H,1,5,7-12H2,2-4H3/b14-6+/t15-,16+,17+,18+,21+/m1/s1
InChIKey: InChIKey=CHMJTHCMQMJKCL-HDZIJYMBSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Rho, J.R., Oh, M.S., Jang, K.H., Cho, K.W., Shin, J. J Nat Prod (2001) 64, 540-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 152.2 |
| 2 (CH) | 49.9 |
| 3 (CH) | 45.9 |
| 4 (CH2) | 29.7 |
| 5 (CH2) | 40.7 |
| 6 (C) | 60.8 |
| 7 (CH) | 63.5 |
| 8 (CH2) | 26.4 |
| 9 (CH2) | 34.3 |
| 10 (CH) | 43 |
| 11 (CH2) | 27.1 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 142.9 |
| 14 (C) | 129.4 |
| 15 (CH3) | 16.4 |
| 16 (C) | 170 |
| 17 (C) | 177.6 |
| 18 (CH2) | 71.9 |
| 19 (CH2) | 114.6 |
| 20 (CH3) | 12.6 |
| 16a (CH3) | 52.3 |
