Spektraris NMR
cis-Cleroda-15,16-dihydroxy-3,13(Z)-dien-18-O-[b-D-galactopyranosyl]-peracetylester
![cis-Cleroda-15,16-dihydroxy-3,13(Z)-dien-18-O-[b-D-galactopyranosyl]-peracetylester](/nmr/static/nmr/svg/10862.svg)
Common Name: cis-Cleroda-15,16-dihydroxy-3,13(Z)-dien-18-O-[b-D-galactopyranosyl]-peracetylester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H54O15/c1-21-13-16-38(9)29(11-10-12-31(38)37(21,8)17-14-28(19-47-23(3)40)15-18-46-22(2)39)35(45)53-36-34(51-27(7)44)33(50-26(6)43)32(49-25(5)42)30(52-36)20-48-24(4)41/h11,15,21,30-34,36H,10,12-14,16-20H2,1-9H3/b28-15-/t21-,30-,31-,32-,33+,34-,36+,37+,38-/m1/s1
InChIKey: InChIKey=NXHZGOWTGWUGET-IEZAOWNPSA-N
Formula: C38H54O15
Molecular Weight: 750.827839
Exact Mass: 750.346271
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cifuente D.A., Borkowski E.J., Sosa M.E., Gianello J.C., Giordano O.S., Tonn C.E. Phytochemistry (2002) 61, 899-905
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 16.5 |
| 2 (CH2) | 24 |
| 3 (CH) | 142.8 |
| 4 (C) | 136.3 |
| 5 (C) | 40.1 |
| 6 (CH2) | 36.3 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 37.5 |
| 9 (C) | 36.2 |
| 10 (CH) | 45.1 |
| 11 (CH2) | 36.1 |
| 12 (CH2) | 28.4 |
| 13 (C) | 140.2 |
| 14 (CH) | 123.5 |
| 15 (CH2) | 60.2 |
| 16 (CH2) | 61.5 |
| 17 (CH3) | 15.8 |
| 18 (C) | 164.5 |
| 19 (CH3) | 32.9 |
| 20 (CH3) | 17.7 |
| 1' (CH) | 91.2 |
| 2' (CH) | 70 |
| 3' (CH) | 72.6 |
| 4' (CH) | 67.8 |
| 5' (CH) | 72.5 |
| 6' (CH2) | 61.4 |
| 15a (C) | 168.8 |
| 15b (CH3) | 20.1 |
| 16a (C) | 169.2 |
| 16b (CH3) | 20.3 |
| 2'a (C) | 169.9 |
| 2'b (CH3) | 20.4 |
| 3'a (C) | 170.4 |
| 3'b (CH3) | 20.5 |
| 4'a (C) | 170.5 |
| 4'b (CH3) | 20.7 |
| 6'a (C) | 170.6 |
| 6'b (CH3) | 20.8 |
