Spektraris NMR
7,13-Diacetylwallifoliol
Common Name: 7,13-Diacetylwallifoliol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O12/c1-16-21(41-17(2)34)14-31-24(16)33(39,28(38)45-29(31,5)6)30(7)22(42-18(3)35)13-23-32(15-40-23,44-19(4)36)25(30)26(31)43-27(37)20-11-9-8-10-12-20/h8-12,21-23,25-26,39H,13-15H2,1-7H3/t21-,22-,23+,25-,26-,30+,31-,32-,33-/m0/s1
InChIKey: InChIKey=VNZAXYQORLDPNX-BYOSGQQVSA-N
Formula: C33H38O12
Molecular Weight: 626.648892
Exact Mass: 626.236327
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, S.S., Pan, Y.L., Lo, K.L., Chakraborty, R., Chien, C.T., Kuo, Y.H., Lin, Y.C. J Nat Prod (2002) 65, 1848-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Taxanes; 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 (C) | 60.3 |
| 2 (CH) | 68.1 |
| 3 (CH) | 42.9 |
| 4 (C) | 81.1 |
| 5 (CH) | 83.1 |
| 6 (CH2) | 35.8 |
| 7 (CH) | 71.4 |
| 8 (C) | 48 |
| 9 (C) | 84.3 |
| 10 (C) | 173.7 |
| 11 (C) | 133.7 |
| 12 (C) | 137.1 |
| 13 (CH) | 79.6 |
| 14 (CH2) | 34.2 |
| 15 (C) | 89.7 |
| 16 (CH3) | 24.9 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 11.1 |
| 20 (CH2) | 74.3 |
| 2a (C) | 165 |
| 2b (C) | 129.7 |
| 2c (CH) | 129.4 |
| 2d (CH) | 128.7 |
| 2e (CH) | 137.1 |
| 2f (CH) | 128.7 |
| 2g (CH) | 129.4 |
| 4a (C) | 168.9 |
| 4b (CH3) | 21.1 |
| 7a (C) | 169.7 |
| 7b (CH3) | 21.1 |
| 13a (C) | 171.1 |
| 13b (CH3) | 21.5 |
