Spektraris NMR
(1R*,2R*,3E,7R*,8S*,9R*,11R*,12S*)-16-O-(3-hydroxy-3-methylglutaryl)-18-O-Acetyl-8,9-epoxydolabell-3-en-2,7,16,18-tetrol
Common Name: (1R*,2R*,3E,7R*,8S*,9R*,11R*,12S*)-16-O-(3-hydroxy-3-methylglutaryl)-18-O-Acetyl-8,9-epoxydolabell-3-en-2,7,16,18-tetrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O10/c1-16(29)37-25(2,3)18-9-10-27(5)19(18)12-22-28(6,38-22)20(30)8-7-17(11-21(27)31)15-36-24(34)14-26(4,35)13-23(32)33/h11,18-22,30-31,35H,7-10,12-15H2,1-6H3,(H,32,33)/b17-11-/t18-,19+,20-,21+,22-,26?,27+,28-/m1/s1
InChIKey: InChIKey=BHBXKBYEDRBUAQ-SWVZAZBASA-N
Formula: C28H44O10
Molecular Weight: 540.644048
Exact Mass: 540.293448
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mohamed, K.M., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1995) 39, 151-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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 (C) | 50.3 |
| 2 (CH) | 73.3 |
| 3 (CH) | 134 |
| 4 (C) | 134.4 |
| 5 (CH2) | 34.7 |
| 6 (CH2) | 32.1 |
| 7 (CH) | 80.9 |
| 8 (C) | 64.7 |
| 9 (CH) | 63.1 |
| 10 (CH2) | 32.8 |
| 11 (CH) | 43 |
| 12 (CH) | 56.5 |
| 13 (CH2) | 26.8 |
| 14 (CH2) | 40.4 |
| 15 (CH3) | 17.2 |
| 16 (CH2) | 60.5 |
| 17 (CH3) | 11.6 |
| 18 (C) | 85 |
| 19 (CH3) | 23 |
| 20 (CH3) | 26.3 |
| 16a (C) | 171.8 |
| 16b (CH2) | 46.8 |
| 16c (C) | 70.2 |
| 16d (CH2) | 47.6 |
| 16e (C) | 175.8 |
| 16f (CH3) | 28.2 |
| 18a (C) | 170.2 |
| 18b (CH3) | 22.7 |
