Spektraris NMR
Maprouneacin
Common Name: Maprouneacin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H58O12/c1-8-9-10-11-12-13-14-16-37-50-33-29-32-36(21-41,49-32)34(44)38(45)27(19-25(6)30(38)43)39(29,51-37)26(20-46-17-15-23(2)3)31(48-28(42)18-24(4)5)40(33,52-37)35(7)22-47-35/h12-14,16,19,23-24,26-27,29,31-34,41,44-45H,8-11,15,17-18,20-22H2,1-7H3/b13-12+,16-14+/t26-,27-,29?,31+,32+,33-,34-,35?,36+,37?,38-,39+,40+/m1/s1
InChIKey: InChIKey=UISUXZKZWZIZIS-CROZNTAXSA-N
Formula: C40H58O12
Molecular Weight: 730.882859
Exact Mass: 730.392827
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carney, J.R., Krenisky, J.M., Williamson, R.T., Luo, J., Carlson, T.J., Hsu, V.L., Moswa, J.L. J Nat Prod (1999) 62, 345-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Daphnanes; 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) | 158.7 |
| 2 (C) | 138.5 |
| 3 (C) | 208.8 |
| 4 (C) | 72.5 |
| 5 (CH) | 71.5 |
| 6 (C) | 60.7 |
| 7 (CH) | 62.9 |
| 8 (CH) | 34.4 |
| 9 (C) | 79.4 |
| 10 (CH) | 47.7 |
| 11 (CH) | 45 |
| 12 (CH) | 69.5 |
| 13 (C) | 83.2 |
| 14 (CH) | 79.3 |
| 15 (C) | 56.4 |
| 16 (CH2) | 48.3 |
| 17 (CH3) | 18.2 |
| 18 (CH2) | 60.6 |
| 19 (CH3) | 9.8 |
| 20 (CH2) | 64.6 |
| 1' (C) | 118.1 |
| 2' (CH) | 120.8 |
| 3' (CH) | 135.5 |
| 4' (CH) | 128.1 |
| 5' (CH) | 140 |
| 6' (CH2) | 32.6 |
| 7' (CH2) | 28.7 |
| 8' (CH2) | 31.3 |
| 9' (CH2) | 22.3 |
| 10' (CH3) | 14 |
| 12a (C) | 172.3 |
| 12b (CH2) | 43.2 |
| 12c (CH) | 25.2 |
| 12d (CH3) | 22.4 |
| 12e (CH3) | 22.4 |
| 18a (CH2) | 172.1 |
| 18b (CH2) | 43.2 |
| 18c (CH) | 25.6 |
| 18d (CH3) | 22.3 |
| 18e (CH3) | 22.3 |
