Spektraris NMR
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-Dihydroxy-7-(hydroxymethyl)-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)-5,6-Dihydroxy-7-(hydroxymethyl)-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/1957.svg)
Common Name: (1S,4S,5S,6R,9S,10R,12R,14R)-5,6-Dihydroxy-7-(hydroxymethyl)-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/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1
InChIKey: InChIKey=VDJHFHXMUKFKET-WDUFCVPESA-N
Formula: C25H34O6
Molecular Weight: 430.534813
Exact Mass: 430.235539
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) | 132.1 |
| 2 (C) | 135.7 |
| 3 (CH) | 82.5 |
| 4 (C) | 84.7 |
| 5 (CH) | 77.1 |
| 6 (C) | 139 |
| 7 (CH) | 128.6 |
| 8 (CH) | 43.5 |
| 9 (C) | 206.6 |
| 10 (C) | 72 |
| 11 (CH) | 38.3 |
| 12 (CH2) | 31.1 |
| 13 (CH) | 23.3 |
| 14 (CH) | 23 |
| 15 (C) | 24 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 15.5 |
| 20 (CH2) | 67.5 |
| 3a (C) | 168.5 |
| 3b (C) | 127.2 |
| 3c (CH) | 140 |
| 3d (CH3) | 16 |
| 3ba (CH3) | 20.8 |
