Spektraris NMR
Thapsivillosin L
Common Name: Thapsivillosin L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O12/c1-9-12-19(32)38-18-14-28(7,42-17(6)31)22-21(25-30(18,37)29(8,36)27(35)41-25)16(5)23(40-26(34)15(4)11-3)24(22)39-20(33)13-10-2/h11,18,22-25,36-37H,9-10,12-14H2,1-8H3/b15-11-/t18-,22+,23-,24-,25-,28-,29+,30+/m0/s1
InChIKey: InChIKey=OQHLHYFMMVYVRR-NYYYGNQTSA-N
Formula: C30H42O12
Molecular Weight: 594.648448
Exact Mass: 594.267627
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, H., Jensen, K.G., Tran, L.M., Chen, M., Zhai, L., Olsen, C.E., Sohoel, H., Denmeade, S.R., Isaacs, J.T., Christensen, S.B. Phytochemistry (2006) 67, 2651-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 57.1 |
| 2 (CH) | 77.5 |
| 3 (CH) | 84.6 |
| 4 (C) | 130.1 |
| 5 (C) | 141 |
| 6 (CH) | 76.6 |
| 7 (C) | 78.3 |
| 8 (CH) | 65.9 |
| 9 (CH2) | 38.1 |
| 10 (C) | 84.6 |
| 11 (C) | 78.2 |
| 12 (C) | 175.3 |
| 13 (CH3) | 16 |
| 14 (CH3) | 22.5 |
| 15 (CH3) | 12.9 |
| 2a (C) | 172.2 |
| 2b (CH2) | 35.9 |
| 2c (CH2) | 17.9 |
| 2d (CH3) | 13.6 |
| 3a (C) | 166.6 |
| 3b (C) | 127.8 |
| 3c (CH) | 138.3 |
| 3d (CH3) | 15.8 |
| 3e (CH3) | 20.6 |
| 8a (C) | 171.9 |
| 8b (CH2) | 36.4 |
| 8c (CH2) | 18.2 |
| 8d (CH3) | 13.7 |
| 10a (C) | 170.6 |
| 10b (CH3) | 20.5 |
