Spektraris NMR
(1R*,2R*,3E,7R*,8S*,9R*,11R*,12S*)-2-O-Acetyl-16-O-(3-hydroxy-3-methylglutaryl)-8,9-epoxydolabell-3- en-2,7,16,18-tetrol
Common Name: (1R*,2R*,3E,7R*,8S*,9R*,11R*,12S*)-2-O-Acetyl-16-O-(3-hydroxy-3-methylglutaryl)-8,9-epoxydolabell-3- en-2,7,16,18-tetrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O10/c1-16(29)37-21-11-17(15-36-24(33)14-26(4,35)13-23(31)32)7-8-20(30)28(6)22(38-28)12-19-18(25(2,3)34)9-10-27(19,21)5/h11,18-22,30,34-35H,7-10,12-15H2,1-6H3,(H,31,32)/b17-11-/t18-,19+,20-,21+,22-,26?,27+,28-/m1/s1
InChIKey: InChIKey=YTCUGHMXPWVBIQ-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) | 48.9 |
| 2 (CH) | 76 |
| 3 (CH) | 127.1 |
| 4 (C) | 139.2 |
| 5 (CH2) | 34.7 |
| 6 (CH2) | 32.2 |
| 7 (CH) | 81.2 |
| 8 (C) | 64.8 |
| 9 (CH) | 63.4 |
| 10 (CH2) | 33.6 |
| 11 (CH) | 43.4 |
| 12 (CH) | 59.4 |
| 13 (CH2) | 27 |
| 14 (CH2) | 40.7 |
| 15 (CH3) | 17.7 |
| 16 (CH2) | 61.2 |
| 17 (CH3) | 11.4 |
| 18 (C) | 72 |
| 19 (CH3) | 25.8 |
| 20 (CH3) | 31.7 |
| 2a (C) | 170.4 |
| 2b (CH3) | 21 |
| 16a (C) | 171.7 |
| 16b (CH2) | 46.7 |
| 16c (C) | 70.2 |
| 16d (CH2) | 47.4 |
| 16e (C) | 179.6 |
| 16f (CH3) | 28 |
