Spektraris NMR
19-Hydroxyingol-3,12-diacetate-7,8-ditiglate
Common Name: 19-Hydroxyingol-3,12-diacetate-7,8-ditiglate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H46O11/c1-11-16(3)30(39)43-25-18(5)13-34-29(42-22(9)37)19(6)14-33(34,45-34)28(38)20(7)26(41-21(8)36)23-24(32(23,10)15-35)27(25)44-31(40)17(4)12-2/h11-13,19-20,23-27,29,35H,14-15H2,1-10H3/b16-11+,17-12+,18-13+/t19-,20+,23-,24+,25+,26+,27-,29-,32+,33-,34-/m0/s1
InChIKey: InChIKey=PRHKECKHDOVWNO-XQIDEDMSSA-N
Formula: C34H46O11
Molecular Weight: 630.723749
Exact Mass: 630.304012
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., Sanz-Cervera, J.F., Ropero, F.J., Checa, J., Fraga, B.M. Phytochemistry (1998) 49, 1095-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 31.7 |
| 2 (CH) | 29.6 |
| 3 (CH) | 76.7 |
| 4 (C) | 73.4 |
| 5 (CH) | 116.5 |
| 6 (C) | 140.2 |
| 7 (CH) | 76.4 |
| 8 (CH) | 71.3 |
| 9 (CH) | 24.9 |
| 10 (C) | 25.3 |
| 11 (CH) | 31.1 |
| 12 (CH) | 70.5 |
| 13 (CH) | 43.6 |
| 14 (C) | 207.2 |
| 15 (C) | 71.2 |
| 16 (CH3) | 17 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 24.5 |
| 19 (CH2) | 62.6 |
| 20 (CH3) | 13.3 |
| 3a (C) | 172.2 |
| 3b (CH3) | 21.2 |
| 7a (C) | 166.8 |
| 7b (C) | 138.5 |
| 7c (CH) | 128.4 |
| 7d (CH3) | 14.6 |
| 7ba (CH3) | 12.2 |
| 8a (C) | 166.4 |
| 8b (C) | 138 |
| 8c (CH) | 128.1 |
| 8d (CH3) | 14.5 |
| 8ba (CH3) | 12 |
| 12a (C) | 170.6 |
| 12b (CH3) | 20.6 |
