Spektraris NMR
15,16-Epoxy-labda-8,13(16),14-triene-19-oic acid 2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl ester
Common Name: 15,16-Epoxy-labda-8,13(16),14-triene-19-oic acid 2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl ester
Synonyms: 15,16-Epoxy-labda-8,13(16),14-triene-19-oic acid 2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl ester
CAS Registry Number:
InChI: InChI=1S/C32H48O12/c1-16-6-9-21-31(3,19(16)8-7-18-10-13-40-15-18)11-5-12-32(21,4)30(39)44-29-27(25(37)23(35)20(14-33)42-29)43-28-26(38)24(36)22(34)17(2)41-28/h10,13,15,17,20-29,33-38H,5-9,11-12,14H2,1-4H3/t17-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29-,31+,32-/m0/s1
InChIKey: InChIKey=BQWRFUXUUCKOMZ-AAWQQOJTSA-N
Formula: C32H48O12
Molecular Weight: 624.717564
Exact Mass: 624.314577
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Katagiri, M., Ohtani, K., Kasai, R., Yamasaki, K., Yang, C.R., Tanaka, O. Phytochemistry (1994) 35, 439-42
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) | 37.5 |
| 2 (CH2) | 20 |
| 3 (CH2) | 38.5 |
| 4 (C) | 44.6 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 34.6 |
| 8 (C) | 127.1 |
| 9 (C) | 139.6 |
| 10 (C) | 40.2 |
| 11 (CH2) | 29.3 |
| 12 (CH2) | 26.1 |
| 13 (C) | 126.2 |
| 14 (CH) | 111.5 |
| 15 (CH) | 143.3 |
| 16 (CH) | 139.1 |
| 17 (CH3) | 19.8 |
| 18 (CH3) | 28.8 |
| 19 (C) | 176.9 |
| 20 (CH3) | 18.8 |
| 1' (CH) | 94.5 |
| 2' (CH) | 79.5 |
| 3' (CH) | 76.9 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.5 |
| 1'' (CH) | 101.7 |
| 2'' (CH) | 72.4 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74 |
| 5'' (CH) | 70.1 |
| 6'' (CH3) | 18.8 |
