Spektraris NMR
15-Acetoxyorbiculin G
Common Name: 15-Acetoxyorbiculin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H42O11/c1-24-21-31(48-35(43)27-15-9-6-10-16-27)34(47-26(3)42)39(23-46-25(2)41)32(49-36(44)28-17-11-7-12-18-28)22-30-33(40(24,39)51-38(30,4)5)50-37(45)29-19-13-8-14-20-29/h6-20,24,30-34H,21-23H2,1-5H3/t24-,30-,31+,32+,33-,34+,39-,40-/m1/s1
InChIKey: InChIKey=YOWBCRNBOMRTPW-NPIRVHPYSA-N
Formula: C40H42O11
Molecular Weight: 698.756402
Exact Mass: 698.272712
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, J.J., Yang, C.S., Peng, C.F., Chen, I.S., Miaw, C.L. J Nat Prod (2008) 71, 1016-21
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Agarofurans; 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) | 71.5 |
| 2 (CH) | 69.4 |
| 3 (CH2) | 31.9 |
| 4 (CH) | 33.4 |
| 5 (C) | 89.7 |
| 6 (CH) | 78.7 |
| 7 (CH) | 49 |
| 8 (CH2) | 35 |
| 9 (CH) | 69.4 |
| 10 (C) | 53.3 |
| 11 (C) | 82.8 |
| 12 (CH3) | 26 |
| 13 (CH3) | 30.6 |
| 14 (CH2) | 66 |
| 15 (CH3) | 18.2 |
| 1a (C) | 169.4 |
| 1b (CH3) | 20.4 |
| 2a (C) | 166.1 |
| 2b (C) | 129.7 |
| 2c (CH) | 129.8 |
| 2d (CH) | 128.6 |
| 2e (CH) | 133.3 |
| 2f (CH) | 128.6 |
| 2g (CH) | 129.8 |
| 6a (C) | 165.5 |
| 6b (C) | 129.7 |
| 6c (CH) | 129.5 |
| 6d (CH) | 128.7 |
| 6e (CH) | 133.3 |
| 6f (CH) | 128.7 |
| 6g (CH) | 129.5 |
| 9a (C) | 165.3 |
| 9b (C) | 129.1 |
| 9c (CH) | 130.2 |
| 9d (CH) | 128.4 |
| 9e (CH) | 133.5 |
| 9f (CH) | 128.4 |
| 9g (CH) | 130.2 |
| 15a (C) | 170.8 |
| 15b (CH3) | 21.3 |
