Spektraris NMR
CHEMBL515955
Common Name: CHEMBL515955
Synonyms: CHEMBL515955
CAS Registry Number:
InChI: InChI=1S/C30H34O6/c1-13-7-21-19(9-23(13)31)15(3)11-29(25(21)17(5)27(33)35-29)30-12-16(4)20-10-24(32)14(2)8-22(20)26(30)18(6)28(34)36-30/h7-8,15-16,19-22H,9-12H2,1-6H3/t15-,16-,19+,20+,21+,22+,29-,30-/m1/s1
InChIKey: InChIKey=KFBJGXFXBDVQQJ-NIKNNLPWSA-N
Formula: C30H34O6
Molecular Weight: 490.588492
Exact Mass: 490.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, L., Hou, J., Gan, M.L., Shi, J.G., Chantrapromma, S., Fun, H.K., Williams, I.D., Sung, H.H.Y. J Nat Prod (2008) 71, 1485-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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 (CH) | 44.6 |
| 2 (CH2) | 40.3 |
| 3 (C) | 197.6 |
| 4 (C) | 137.4 |
| 5 (CH) | 140.1 |
| 6 (CH) | 38.2 |
| 7 (C) | 160.9 |
| 8 (C) | 91.5 |
| 9 (CH2) | 36.3 |
| 10 (CH) | 32.9 |
| 11 (C) | 127.7 |
| 12 (CH3) | 9.4 |
| 13 (C) | 172.4 |
| 14 (CH3) | 15.7 |
| 15 (CH3) | 18.9 |
| 1' (CH) | 44.6 |
| 2' (CH2) | 40.3 |
| 3' (C) | 197.6 |
| 4' (C) | 137.4 |
| 5' (CH) | 140.1 |
| 6' (CH) | 38.2 |
| 7' (C) | 160.9 |
| 8' (C) | 91.5 |
| 9' (CH2) | 36.3 |
| 10' (CH) | 32.9 |
| 11' (C) | 127.7 |
| 12' (CH3) | 9.4 |
| 13' (C) | 172.4 |
| 14' (CH3) | 15.7 |
| 15' (CH3) | 18.9 |
