Spektraris NMR
Sinulaflexiolide A
Common Name: Sinulaflexiolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H62O9/c1-25-11-9-18-36(3,43)33-23-28(16-20-39(6)31(49-39)14-13-25)40(45,35(42)47-33)21-17-29-27-15-19-38(5)30(48-38)12-8-7-10-26(2)24-37(4,44)32(22-27)46-34(29)41/h7,10-11,26-33,43-45H,8-9,12-24H2,1-6H3/b10-7+,25-11+/t26?,27-,28-,29?,30-,31+,32-,33-,36+,37-,38+,39-,40+/m1/s1
InChIKey: InChIKey=CPZQWCBZIIMRKA-ZEVAAEOESA-N
Formula: C40H62O9
Molecular Weight: 686.916407
Exact Mass: 686.439384
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wen, T., Ding, Y., Deng, Z., van Ofwegen, L., Proksch, P., Lin, W. J Nat Prod (2008) 71, 1133-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 33.1 |
| 2 (CH2) | 30.6 |
| 3 (CH) | 82.8 |
| 4 (C) | 73.3 |
| 5 (CH2) | 40 |
| 6 (CH) | 23.5 |
| 7 (CH) | 127.4 |
| 8 (CH) | 133.3 |
| 9 (CH2) | 35 |
| 10 (CH2) | 25.3 |
| 11 (CH) | 62.3 |
| 12 (C) | 59.1 |
| 13 (CH2) | 34.7 |
| 14 (CH2) | 24.9 |
| 15 (CH) | 47.5 |
| 16 (C) | 173.9 |
| 17 (CH2) | 25.5 |
| 18 (CH3) | 24.7 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 15.6 |
| 1' (CH) | 40 |
| 2' (CH2) | 31.2 |
| 3' (CH) | 84 |
| 4' (C) | 73.3 |
| 5' (CH2) | 40 |
| 6' (CH2) | 23.6 |
| 7' (CH) | 126.4 |
| 8' (C) | 133.6 |
| 9' (CH2) | 35.1 |
| 10' (CH2) | 25.2 |
| 11' (CH) | 62.2 |
| 12' (C) | 59.1 |
| 13' (CH2) | 34.8 |
| 14' (CH2) | 25.5 |
| 15' (C) | 74.9 |
| 16' (C) | 174.9 |
| 17' (CH2) | 27.4 |
| 18' (CH3) | 24.9 |
| 19' (CH3) | 16.4 |
| 20' (CH3) | 15.7 |
