Spektraris NMR
3-O-Methylmalonylepiocotillol II
Common Name: 3-O-Methylmalonylepiocotillol II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H56O6/c1-29(2)23-13-18-33(7)24(31(23,5)16-14-25(29)39-28(36)20-27(35)38-9)11-10-21-22(12-17-32(21,33)6)34(8)19-15-26(40-34)30(3,4)37/h21-26,37H,10-20H2,1-9H3/t21-,22+,23+,24-,25-,26-,31+,32-,33-,34+/m1/s1
InChIKey: InChIKey=ZCEVRGUYZFNGJD-WUPCDRHTSA-N
Formula: C34H56O6
Molecular Weight: 560.806132
Exact Mass: 560.40769
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kashiwada, Y., Sekiya, M., Yamazaki, K., Ikeshiro, Y., Fujioka, T., Yamagishi, T., Kitagawa, S., Takaishi, Y. J Nat Prod (2007) 70, 623-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 34.1 |
| 2 (CH2) | 22.8 |
| 3 (CH) | 80.1 |
| 4 (C) | 37.1 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 18 |
| 7 (CH2) | 34.6 |
| 8 (C) | 40.6 |
| 9 (CH) | 50.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 25.7 |
| 13 (CH) | 42.9 |
| 14 (C) | 50.1 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 49.5 |
| 18 (CH3) | 16 |
| 19 (CH3) | 15.5 |
| 20 (C) | 83.3 |
| 21 (CH3) | 24.3 |
| 22 (CH2) | 35.7 |
| 23 (CH2) | 26.1 |
| 24 (CH) | 86.4 |
| 25 (C) | 70.9 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 27.5 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 16.5 |
| 3a (C) | 166 |
| 3b (CH2) | 41.8 |
| 3c (C) | 167.2 |
| 3e (CH3) | 52.3 |
