Spektraris NMR
Isokarounidiol-3-p-methoxvbenzoate-29-acetate
Common Name: Isokarounidiol-3-p-methoxvbenzoate-29-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O6/c1-25(41)45-24-36(4)18-19-37(5)20-21-40(8)33-28(14-17-39(40,7)31(37)23-36)38(6)16-15-32(35(2,3)30(38)22-29(33)42)46-34(43)26-10-12-27(44-9)13-11-26/h10-13,30-32H,14-24H2,1-9H3/t30-,31+,32+,36+,37+,38+,39-,40+/m0/s1
InChIKey: InChIKey=NYVKRICQRNMHRP-CVSZYKPLSA-N
Formula: C40H56O6
Molecular Weight: 632.870548
Exact Mass: 632.40769
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Kimura, Y., Kasahara, Y., Kumaki, K., Thakur, S., Tamura, T. Phytochemistry (1997) 46, 1261-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Multifloranes; 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) | 28.6 |
| 2 (CH2) | 23.3 |
| 3 (CH) | 77.4 |
| 4 (C) | 36.8 |
| 5 (CH) | 46.9 |
| 6 (CH2) | 125.1 |
| 7 (C) | 125.6 |
| 8 (C) | 136.5 |
| 9 (C) | 137 |
| 10 (C) | 38.21 |
| 11 (CH2) | 19.9 |
| 12 (CH2) | 30.6 |
| 13 (C) | 37.4 |
| 14 (C) | 38.5 |
| 15 (CH2) | 29 |
| 16 (CH2) | 35.8 |
| 17 (C) | 31.2 |
| 18 (CH) | 42.1 |
| 19 (CH2) | 29.9 |
| 20 (C) | 31.8 |
| 21 (CH2) | 28.5 |
| 22 (CH2) | 38 |
| 23 (CH3) | 26.9 |
| 24 (CH3) | 23 |
| 25 (CH3) | 13.4 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 31 |
| 29 (CH2) | 74.4 |
| 30 (CH3) | 26.8 |
| 1' (C) | 165.7 |
| 2' (C) | 123.3 |
| 3' (CH) | 131.5 |
| 4' (CH) | 113.7 |
| 5' (C) | 163.3 |
| 6' (CH) | 113.7 |
| 7' (CH) | 131.5 |
| 29a (C) | 171.6 |
| 29b (CH3) | 21.1 |
| 5'a (CH3) | 55.5 |
