Spektraris NMR
Astraverrucin VI
Common Name: Astraverrucin VI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H72O15/c1-20-28(48)29(49)31(51)36(55-20)58-33-24(18-54-21(2)45)56-37(32(52)30(33)50)57-26-11-13-44-19-43(44)15-14-40(7)35(42(9)12-10-27(59-42)39(5,6)53)23(47)17-41(40,8)25(43)16-22(46)34(44)38(26,3)4/h20,22-37,46-53H,10-19H2,1-9H3/t20-,22-,23-,24+,25-,26-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,40+,41-,42+,43-,44+/m0/s1
InChIKey: InChIKey=MCUPNVMJFFKKSS-BFKFFAPHSA-N
Formula: C44H72O15
Molecular Weight: 841.035188
Exact Mass: 840.487122
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.7 |
| 2 (CH2) | 30 |
| 3 (CH) | 89.2 |
| 4 (C) | 42.6 |
| 5 (CH) | 54.3 |
| 6 (CH) | 67.8 |
| 7 (CH2) | 38.6 |
| 8 (CH) | 46.9 |
| 9 (C) | 21.4 |
| 10 (C) | 29.5 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 34.9 |
| 13 (C) | 45 |
| 14 (C) | 46.1 |
| 15 (CH2) | 46.6 |
| 16 (CH) | 73.4 |
| 17 (CH) | 58.3 |
| 18 (CH3) | 21 |
| 19 (CH2) | 30.4 |
| 20 (C) | 87.2 |
| 21 (CH3) | 27.1 |
| 22 (CH2) | 33.4 |
| 23 (CH2) | 26.2 |
| 24 (CH) | 81.7 |
| 25 (C) | 71.3 |
| 26 (CH3) | 28.2 |
| 27 (CH3) | 28.6 |
| 28 (CH3) | 29 |
| 29 (CH3) | 20.2 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 105.5 |
| 2' (CH) | 74.2 |
| 3' (CH) | 79.7 |
| 4' (CH) | 77.6 |
| 5' (CH) | 74.8 |
| 6' (CH2) | 64.5 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74.2 |
| 5'' (CH) | 69.7 |
| 6'' (CH3) | 18.8 |
| 6'a (C) | 170.8 |
| 6'b (CH3) | 21.5 |
