Spektraris NMR
Biskallolide A
Common Name: Biskallolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H46O7/c1-19(2)27-13-11-25-17-31(45-39(25)41)33(21(5)6)29-15-23(9)35(43-29)37(27)47-38-28(20(3)4)14-12-26-18-32(46-40(26)42)34(22(7)8)30-16-24(10)36(38)44-30/h15-18,27-28,31-34,37-38H,1,3,5,7,11-14H2,2,4,6,8-10H3/t27-,28-,31+,32+,33-,34-,37-,38-/m0/s1
InChIKey: InChIKey=ZAEXQDBLZPJMTJ-JEPKPHBVSA-N
Formula: C40H46O7
Molecular Weight: 638.790545
Exact Mass: 638.324354
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, J.G., Shi, Y.P. J Org Chem (2000) 65, 3192-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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) | 48 |
| 2 (CH) | 71.1 |
| 3 (C) | 149.4 |
| 4 (C) | 120.5 |
| 5 (CH) | 112 |
| 6 (C) | 151.9 |
| 7 (CH) | 49.2 |
| 8 (CH) | 80.8 |
| 9 (CH) | 145.5 |
| 10 (C) | 137.1 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 33.6 |
| 13 (C) | 145.5 |
| 14 (CH2) | 112.8 |
| 15 (CH3) | 18.7 |
| 16 (CH3) | 10 |
| 17 (C) | 141.7 |
| 18 (CH2) | 114.6 |
| 19 (CH3) | 21.8 |
| 20 (C) | 174.8 |
| 1' (CH) | 48 |
| 2' (CH) | 71.1 |
| 3' (C) | 149.4 |
| 4' (C) | 120.5 |
| 5' (CH) | 112 |
| 6' (C) | 151.9 |
| 7' (CH) | 49.2 |
| 8' (CH) | 80.8 |
| 9' (CH) | 145.5 |
| 10' (C) | 137.1 |
| 11' (CH2) | 22.2 |
| 12' (CH2) | 33.6 |
| 13' (C) | 145.5 |
| 14' (CH2) | 112.8 |
| 15' (CH3) | 18.7 |
| 16' (CH3) | 10 |
| 17' (C) | 141.7 |
| 18' (CH2) | 114.6 |
| 19' (CH3) | 21.8 |
| 20' (C) | 174.8 |
