Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C65H106O32/c1-25(2)10-9-16-65(85,60(84)97-57-50(83)45(78)40(73)32(21-67)91-57)29-13-18-63(7)28(29)11-12-35-61(5)17-15-36(62(6,24-68)34(61)14-19-64(35,63)8)93-58-53(96-55-48(81)43(76)38(71)27(4)89-55)51(30(69)22-86-58)94-59-52(95-56-49(82)44(77)39(72)31(20-66)90-56)46(79)41(74)33(92-59)23-87-54-47(80)42(75)37(70)26(3)88-54/h10,24,26-59,66-67,69-83,85H,9,11-23H2,1-8H3/t26-,27-,28+,29-,30-,31+,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,47+,48+,49+,50+,51-,52+,53+,54+,55-,56-,57-,58-,59-,61-,62+,63+,64+,65-/m0/s1
InChIKey: InChIKey=UZIUZKDUJVRZGN-SRGUZJJDSA-N
Formula: C65H106O32
Molecular Weight: 1399.520511
Exact Mass: 1398.666721
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, Z., Chen, Q., Hu, L. Phytochemistry (2007) 68, 1752-61
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) | 38.7 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 85.9 |
| 4 (C) | 49.8 |
| 5 (CH) | 58.2 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 35.6 |
| 8 (C) | 40.6 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.2 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 41.3 |
| 14 (C) | 49.9 |
| 15 (CH2) | 30.9 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 49.1 |
| 18 (CH3) | 38.7 |
| 19 (CH3) | 17.2 |
| 20 (C) | 79.3 |
| 21 (C) | 176 |
| 22 (CH2) | 40.1 |
| 23 (CH2) | 23.3 |
| 24 (CH) | 125.5 |
| 25 (C) | 131.5 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18 |
| 28 (CH3) | 21.7 |
| 29 (CH) | 206.7 |
| 30 (CH3) | 16.1 |
| 1' (CH) | 104.8 |
| 2' (CH) | 74.7 |
| 3' (CH) | 82.4 |
| 4' (CH) | 68.4 |
| 5' (CH2) | 65.3 |
| 1'' (CH) | 104.9 |
| 2'' (CH) | 75.1 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 72.3 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 68 |
| 1''' (CH) | 102.1 |
| 2''' (CH) | 72.4 |
| 3''' (CH) | 72.6 |
| 4''' (CH) | 74.2 |
| 5''' (CH) | 70.2 |
| 6''' (CH3) | 18.8 |
| 1'''' (CH) | 106 |
| 2'''' (CH) | 75.6 |
| 3'''' (CH) | 78.7 |
| 4'''' (CH) | 71.7 |
| 5'''' (CH) | 78.7 |
| 6'''' (CH2) | 62.7 |
| 1''''' (CH) | 102.7 |
| 2''''' (CH) | 72.7 |
| 3''''' (CH) | 72.9 |
| 4''''' (CH) | 74.1 |
| 5''''' (CH) | 70 |
| 6''''' (CH3) | 18.9 |
| 1'''''' (CH) | 94.4 |
| 2'''''' (CH) | 70.9 |
| 3'''''' (CH) | 78.2 |
| 4'''''' (CH) | 72.4 |
| 5'''''' (CH) | 78.6 |
| 6'''''' (CH2) | 63.4 |
