Spektraris NMR
(15S)-3beta,12-Bis(beta-D-glucopyranosyloxy)abieta-8,11,13-triene-11,16-diol
Common Name: (15S)-3beta,12-Bis(beta-D-glucopyranosyloxy)abieta-8,11,13-triene-11,16-diol
Synonyms: (15S)-3beta,12-Bis(beta-D-glucopyranosyloxy)abieta-8,11,13-triene-11,16-diol
CAS Registry Number:
InChI: InChI=1S/C32H50O14/c1-13(10-33)15-9-14-5-6-18-31(2,3)19(45-29-26(41)24(39)21(36)16(11-34)43-29)7-8-32(18,4)20(14)23(38)28(15)46-30-27(42)25(40)22(37)17(12-35)44-30/h9,13,16-19,21-22,24-27,29-30,33-42H,5-8,10-12H2,1-4H3/t13-,16-,17-,18+,19+,21-,22-,24+,25+,26-,27-,29+,30+,32+/m1/s1
InChIKey: InChIKey=KCIQZURWKWOKHQ-SGSUROKZSA-N
Formula: C32H50O14
Molecular Weight: 658.732255
Exact Mass: 658.320056
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liu, S., Zhu, H., Zhang, S., Zhang, X., Yu, Q., Xuan, L. J Nat Prod (2008) 71, 755-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 36.2 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 91.1 |
| 4 (C) | 41 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 34.2 |
| 8 (C) | 135.4 |
| 9 (C) | 134.8 |
| 10 (C) | 40.5 |
| 11 (C) | 149.4 |
| 12 (C) | 143.3 |
| 13 (C) | 136.7 |
| 14 (CH) | 118.5 |
| 15 (CH) | 35.1 |
| 16 (CH3) | 18.6 |
| 17 (CH2) | 69.4 |
| 18 (CH3) | 29.3 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 20.1 |
| 1' (CH) | 107.9 |
| 2' (CH) | 75.8 |
| 3' (CH) | 79.2 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 63.2 |
| 1'' (CH) | 107 |
| 2'' (CH) | 75.9 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 63 |
