Spektraris NMR
Ixerin ZA
Common Name: Ixerin ZA
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O11/c1-13-5-10-18-14(2)29(36)40-28(18)22-15(3)27(24(33)21(13)22)41-30-26(35)25(34)23(32)19(39-30)12-38-20(31)11-16-6-8-17(37-4)9-7-16/h6-9,18-19,22-23,25-26,28,30,32,34-35H,2,5,10-12H2,1,3-4H3/t18-,19+,22-,23+,25-,26+,28-,30-/m0/s1
InChIKey: InChIKey=VTCJWHMVUKCYRR-SNRQDRKMSA-N
Formula: C30H34O11
Molecular Weight: 570.585517
Exact Mass: 570.210112
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - He, W.F., Xu, B.B., Pan, J.C., Lu, J.C., Song, S.J., Xu, S.X. J Asian Nat Prod Res (2006) 8, 481-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 152.8 |
| 2 (C) | 188.6 |
| 3 (C) | 153.4 |
| 4 (C) | 146.8 |
| 5 (CH) | 47.8 |
| 6 (CH) | 84.6 |
| 7 (CH) | 51.9 |
| 8 (CH2) | 23.8 |
| 9 (CH2) | 36.6 |
| 10 (C) | 129.2 |
| 11 (C) | 139.2 |
| 12 (C) | 168.8 |
| 13 (CH2) | 117 |
| 14 (CH3) | 21.4 |
| 15 (CH3) | 14.6 |
| 1' (CH) | 101.6 |
| 2' (CH) | 74.8 |
| 3' (CH) | 77.8 |
| 4' (CH) | 70.8 |
| 5' (CH) | 75.2 |
| 6' (CH2) | 64.2 |
| 1'' (C) | 171.8 |
| 2'' (CH2) | 39.8 |
| 3'' (C) | 124.2 |
| 4'' (CH) | 130.8 |
| 5'' (CH) | 115.2 |
| 6'' (C) | 158.6 |
| 7'' (CH) | 115.2 |
| 8'' (CH) | 130.8 |
| 6''a (CH3) | 55.6 |
