Spektraris NMR
(1S,4S,5S,6R,9S,10R,12R,14R)-7-(Acetoxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl (2Z)-2-methyl-2-butenoate
![(1S,4S,5S,6R,9S,10R,12R,14R)-7-(Acetoxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl (2Z)-2-methyl-2-butenoate](/nmr/static/nmr/svg/1953.svg)
Common Name: (1S,4S,5S,6R,9S,10R,12R,14R)-7-(Acetoxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl (2Z)-2-methyl-2-butenoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O7/c1-8-13(2)24(31)34-23-14(3)11-26-15(4)9-19-20(25(19,6)7)18(22(26)30)10-17(12-33-16(5)28)21(29)27(23,26)32/h8,10-11,15,18-21,23,29,32H,9,12H2,1-7H3/b13-8-/t15-,18+,19-,20+,21-,23+,26+,27+/m1/s1
InChIKey: InChIKey=ZYCAGKYWXRKLSN-KLKWOBOISA-N
Formula: C27H36O7
Molecular Weight: 472.571571
Exact Mass: 472.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., SanzCervera, J.F., Yuste, A. Phytochemistry (1997) 45, 563-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ingenanes; 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 (CH) | 132.2 |
| 2 (C) | 136 |
| 3 (CH) | 82.7 |
| 4 (C) | 84.9 |
| 5 (CH) | 74.8 |
| 6 (C) | 135.9 |
| 7 (CH) | 129.5 |
| 8 (CH) | 43.6 |
| 9 (C) | 206.3 |
| 10 (C) | 72.1 |
| 11 (CH) | 38.5 |
| 12 (CH2) | 31.1 |
| 13 (CH) | 23.3 |
| 14 (CH) | 23.1 |
| 15 (C) | 24 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 15.6 |
| 20 (CH2) | 66.8 |
| 3a (C) | 168.4 |
| 3b (C) | 127.1 |
| 3c (CH) | 140 |
| 3d (CH3) | 16 |
| 3ba (CH3) | 20.8 |
| 20a (C) | 171.1 |
| 20b (CH3) | 21.1 |
