Spektraris NMR
ent-3b,12b,14b,18-Tetraaceyoxybeyer-15-en-7-one
Common Name: ent-3b,12b,14b,18-Tetraaceyoxybeyer-15-en-7-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O9/c1-15(29)34-14-27(7)19-12-21(33)28-11-10-26(6,24(28)37-18(4)32)23(36-17(3)31)13-20(28)25(19,5)9-8-22(27)35-16(2)30/h10-11,19-20,22-24H,8-9,12-14H2,1-7H3/t19-,20-,22+,23-,24-,25+,26-,27+,28+/m0/s1
InChIKey: InChIKey=KFYGXZNWKKPKTB-JDHSIVTISA-N
Formula: C28H38O9
Molecular Weight: 518.596998
Exact Mass: 518.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Guerrero, A., Martinez, A., Parra, A., Arias, J.M. Phytochemistry (1994) 36, 657-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 35.1 |
| 2 (CH2) | 23 |
| 3 (CH) | 73.3 |
| 4 (C) | 41 |
| 5 (CH) | 46.1 |
| 6 (CH2) | 37.1 |
| 7 (C) | 209.7 |
| 8 (C) | 63.6 |
| 9 (CH) | 49 |
| 10 (C) | 36.2 |
| 11 (CH2) | 26.4 |
| 12 (CH) | 72.9 |
| 13 (C) | 53.4 |
| 14 (CH) | 88.6 |
| 15 (CH) | 131.6 |
| 16 (CH) | 134.2 |
| 17 (CH3) | 14.4 |
| 18 (CH2) | 64.5 |
| 19 (CH3) | 12.5 |
| 20 (CH3) | 15.5 |
| 3a (C) | 171.5 |
| 3b (CH3) | 21.2 |
| 12a (C) | 171 |
| 12b (CH3) | 21.1 |
| 14a (C) | 170.4 |
| 14b (CH3) | 21 |
| 18a (C) | 170.3 |
| 18b (CH3) | 21 |
