Spektraris NMR
Kandovanol ester B
Common Name: Kandovanol ester B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O11/c1-9-10-20(34)41-25-22-23(40-17(5)33)14(2)12-30(22,37)26(35)28(8,36)24-21-18(27(21,6)7)11-19(39-16(4)32)29(24,25)13-38-15(3)31/h14,18-19,21-25,36-37H,9-13H2,1-8H3/t14-,18-,19+,21-,22+,23-,24-,25+,28-,29+,30+/m0/s1
InChIKey: InChIKey=GQHVPVLVTMOBIA-OCZZFJFZSA-N
Formula: C30H44O11
Molecular Weight: 580.664924
Exact Mass: 580.288362
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zahid, M., Husani, S.R., Abbas, M., Pan, Y.J., Jassbi, A.R., Asim, M., Parvez, M., Voelter, W., Ahmad, V.U. Helv Chim Acta (2001) 84, 1980-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 46.6 |
| 2 (CH) | 35.8 |
| 3 (CH) | 78.5 |
| 4 (CH) | 50.3 |
| 5 (CH) | 69.9 |
| 6 (C) | 46.6 |
| 7 (CH) | 68.2 |
| 8 (CH2) | 22.9 |
| 9 (CH) | 19.3 |
| 10 (C) | 18.8 |
| 11 (CH) | 23.2 |
| 12 (CH) | 41.2 |
| 13 (C) | 79.9 |
| 14 (C) | 210.3 |
| 15 (C) | 83.6 |
| 16 (CH3) | 15.1 |
| 17 (CH2) | 61.6 |
| 18 (CH3) | 22.9 |
| 19 (CH3) | 20.1 |
| 20 (CH3) | 28.6 |
| 3a (C) | 171.9 |
| 3b (CH3) | 21.3 |
| 5a (C) | 171.1 |
| 5b (CH2) | 35.9 |
| 5c (CH2) | 17.8 |
| 5d (CH3) | 13.7 |
| 7a (C) | 170.1 |
| 7b (CH3) | 21.2 |
| 17a (C) | 169.7 |
| 17b (CH3) | 20.7 |
