Spektraris NMR
Bisgersolanolide
Common Name: Bisgersolanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H48O10/c1-17(2)22-11-9-20-13-26(48-36(20)46)38(6)15-24(38)32(43)28-19(5)34(30(22)41)50-40(8)29(28)33(44)25-16-39(25,7)27-14-21(37(47)49-27)10-12-23(18(3)4)31(42)35(40)45/h13-14,22-31,41-42H,1,3,9-12,15-16H2,2,4-8H3/t22-,23-,24-,25-,26+,27+,28+,29-,30-,31+,38+,39+,40-/m0/s1
InChIKey: InChIKey=NRSWSINQTHGHRP-ZHWQXKCXSA-N
Formula: C40H48O10
Molecular Weight: 688.804641
Exact Mass: 688.324748
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, J.G. Org Lett (1999) 1, 337-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Gersolanes; 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) | 47.7 |
| 2 (CH) | 68.8 |
| 3 (C) | 147.8 |
| 4 (C) | 106.2 |
| 5 (CH) | 57.1 |
| 6 (C) | 206.1 |
| 7 (CH) | 23.4 |
| 8 (C) | 33.9 |
| 9 (CH2) | 21.5 |
| 10 (CH) | 83.6 |
| 11 (CH) | 146.1 |
| 12 (C) | 138.6 |
| 13 (CH2) | 21.4 |
| 14 (CH2) | 28.5 |
| 15 (C) | 143.5 |
| 16 (CH2) | 112.4 |
| 17 (CH3) | 22.8 |
| 18 (CH3) | 14.5 |
| 19 (CH3) | 15 |
| 20 (C) | 173.7 |
| 1' (CH) | 45.6 |
| 2' (CH) | 72.9 |
| 3' (C) | 207.8 |
| 4' (C) | 79.4 |
| 5' (CH) | 61.4 |
| 6' (C) | 203.5 |
| 7' (CH) | 26.9 |
| 8' (C) | 34.2 |
| 9' (CH2) | 20.8 |
| 10' (CH) | 84.1 |
| 11' (CH) | 146.4 |
| 12' (C) | 138.7 |
| 13' (CH2) | 20.6 |
| 14' (CH2) | 25.6 |
| 15' (C) | 143.7 |
| 16' (CH2) | 114.6 |
| 17' (CH3) | 20.7 |
| 18' (CH3) | 22.7 |
| 19' (CH3) | 14.8 |
| 20' (C) | 173.8 |
