Spektraris NMR
Foetidissimoside D
Common Name: Foetidissimoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C57H90O26/c1-22-41(79-46-37(67)32(62)25(58)19-74-46)42(80-47-38(68)33(63)26(59)20-75-47)40(70)49(77-22)82-44-34(64)27(60)21-76-50(44)83-51(73)57-16-15-52(2,3)17-24(57)23-9-10-29-54(6)13-12-31(78-48-39(69)35(65)36(66)43(81-48)45(71)72)53(4,5)28(54)11-14-55(29,7)56(23,8)18-30(57)61/h9,22,24-44,46-50,58-70H,10-21H2,1-8H3,(H,71,72)/t22-,24-,25+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,46-,47-,48+,49-,50-,54-,55+,56+,57+/m0/s1
InChIKey: InChIKey=LDNMEYLMVAGICN-ZGRBDBLJSA-N
Formula: C57H90O26
Molecular Weight: 1191.311142
Exact Mass: 1190.572033
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gaidi, G., Miyamoto, T., Lerche, H., Lacaille-Dubois, M.A. Helv Chim Acta (2004) 87, 1158-66
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 37.8 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 89.1 |
| 4 (C) | 40.3 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 29.1 |
| 8 (C) | 40.9 |
| 9 (CH) | 47.1 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 123 |
| 13 (C) | 145.2 |
| 14 (C) | 42.9 |
| 15 (CH2) | 36.1 |
| 16 (CH) | 74.1 |
| 17 (C) | 50.4 |
| 18 (CH) | 42.1 |
| 19 (CH2) | 47.9 |
| 20 (C) | 30.9 |
| 21 (CH2) | 36.1 |
| 22 (CH2) | 30.8 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 27.1 |
| 28 (C) | 176.7 |
| 29 (CH3) | 34.1 |
| 30 (CH3) | 24.7 |
| 1' (CH) | 106.7 |
| 2' (CH) | 76.4 |
| 3' (CH) | 79.7 |
| 4' (CH) | 72.4 |
| 5' (CH) | 77.2 |
| 6' (C) | 170 |
| 1'' (CH) | 94.3 |
| 2'' (CH) | 75.7 |
| 3'' (CH) | 70.2 |
| 4'' (CH) | 66.9 |
| 5'' (CH2) | 62.9 |
| 1''' (CH) | 101.5 |
| 2''' (CH) | 72.4 |
| 3''' (CH) | 82.5 |
| 4''' (CH) | 79.1 |
| 5''' (CH) | 69.5 |
| 6''' (CH3) | 19.4 |
| 1'''' (CH) | 105.9 |
| 2'''' (CH) | 76.2 |
| 3'''' (CH) | 79.2 |
| 4'''' (CH) | 71.7 |
| 5'''' (CH2) | 67.9 |
| 1''''' (CH) | 106.7 |
| 2''''' (CH) | 76.2 |
| 3''''' (CH) | 79.1 |
| 4''''' (CH) | 72.1 |
| 5''''' (CH2) | 67.9 |
