Spektraris NMR
b-D-Glucopyranosyl-(1fi2)-b-D-glucopyranosyl-15,16-epoxy-12-oxo-8(17),13(16)-14-ent-labdatrien-19-oate
Common Name: b-D-Glucopyranosyl-(1fi2)-b-D-glucopyranosyl-15,16-epoxy-12-oxo-8(17),13(16)-14-ent-labdatrien-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O14/c1-15-5-6-21-31(2,17(15)11-18(35)16-7-10-42-14-16)8-4-9-32(21,3)30(41)46-29-27(25(39)23(37)20(13-34)44-29)45-28-26(40)24(38)22(36)19(12-33)43-28/h7,10,14,17,19-29,33-34,36-40H,1,4-6,8-9,11-13H2,2-3H3/t17-,19+,20-,21+,22-,23-,24+,25+,26-,27-,28+,29+,31+,32-/m1/s1
InChIKey: InChIKey=PKSIMYZPVVVCPE-KVJRIWHPSA-N
Formula: C32H46O14
Molecular Weight: 654.700492
Exact Mass: 654.288756
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Waridel, P., Wolfender, J.L., Lachavanne, J.B., Hostettmann, K. Phytochemistry (2004) 65, 2401-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 40.5 |
| 2 (CH2) | 21.15 |
| 3 (CH2) | 39.07 |
| 4 (C) | 45.71 |
| 5 (CH) | 57.76 |
| 6 (CH2) | 26.58 |
| 7 (CH2) | 39.15 |
| 8 (C) | 150.22 |
| 9 (CH) | 52.07 |
| 10 (C) | 40.89 |
| 11 (CH2) | 37.52 |
| 12 (C) | 197.16 |
| 13 (C) | 129.35 |
| 14 (CH) | 109.32 |
| 15 (CH) | 145.85 |
| 16 (CH) | 149.58 |
| 17 (CH2) | 107.26 |
| 18 (CH3) | 29.38 |
| 19 (C) | 177.66 |
| 20 (CH3) | 14.32 |
| 1' (CH) | 94.2 |
| 2' (CH) | 78.23 |
| 3' (CH) | 78.93 |
| 4' (CH) | 71.18 |
| 5' (CH) | 78.65 |
| 6' (CH2) | 62.43 |
| 1'' (CH) | 103.66 |
| 2'' (CH) | 75.82 |
| 3'' (CH) | 78.04 |
| 4'' (CH) | 72.11 |
| 5'' (CH) | 78.27 |
| 6'' (CH2) | 63.3 |
