Spektraris NMR
(1R*,2R*,3E, 11R*, 12S*)-2,18-O-Diacetyl-16-O-(3-hydroxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one
Common Name: (1R*,2R*,3E, 11R*, 12S*)-2,18-O-Diacetyl-16-O-(3-hydroxy-3-methylglutaryl)-2,16,18-trihydroxydolabella-3,8(17)-dien-7-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O10/c1-18-8-10-23-22(28(4,5)40-20(3)32)12-13-30(23,7)25(39-19(2)31)14-21(9-11-24(18)33)17-38-27(36)16-29(6,37)15-26(34)35/h14,22-23,25,37H,1,8-13,15-17H2,2-7H3,(H,34,35)/b21-14-/t22-,23+,25+,29?,30+/m1/s1
InChIKey: InChIKey=FGKMIBOWYZLVPV-NXEAFCESSA-N
Formula: C30H44O10
Molecular Weight: 564.665519
Exact Mass: 564.293448
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) | 49.4 |
| 2 (CH) | 75.5 |
| 3 (CH) | 126.7 |
| 4 (C) | 138.1 |
| 5 (CH2) | 29.9 |
| 6 (CH2) | 34.7 |
| 7 (C) | 205.4 |
| 8 (C) | 150.1 |
| 9 (CH2) | 34.8 |
| 10 (CH2) | 30 |
| 11 (CH) | 42.3 |
| 12 (CH) | 57.6 |
| 13 (CH2) | 26.6 |
| 14 (CH2) | 39.5 |
| 15 (CH3) | 16.9 |
| 16 (CH2) | 61.4 |
| 17 (CH2) | 126.3 |
| 18 (C) | 84.7 |
| 19 (CH3) | 23.8 |
| 20 (CH3) | 26.5 |
| 2a (C) | 170.3 |
| 2b (CH3) | 20.9 |
| 16a (C) | 171.7 |
| 16b (CH2) | 46.6 |
| 16c (C) | 70.4 |
| 16d (CH2) | 47.4 |
| 16e (C) | 176 |
| 16f (CH3) | 28 |
| 18a (C) | 170.3 |
| 18b (CH3) | 22.8 |
