Spektraris NMR
11α,12α-epoxy-3β-[(O-β-D-galactopyranosyl-(1-->3)-O-[β-D-glucopyranosyl-(1-->2)]-β-D-glucuronopyranosyl)-oxy]olean-28,13-olide
![11α,12α-epoxy-3β-[(O-β-D-galactopyranosyl-(1-->3)-O-[β-D-glucopyranosyl-(1-->2)]-β-D-glucuronopyranosyl)-oxy]olean-28,13-olide](/nmr/static/nmr/svg/18418.svg)
Common Name: 11α,12α-epoxy-3β-[(O-β-D-galactopyranosyl-(1-->3)-O-[β-D-glucopyranosyl-(1-->2)]-β-D-glucuronopyranosyl)-oxy]olean-28,13-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H74O20/c1-42(2)12-14-47-15-13-46(7)45(6)11-8-21-43(3,4)23(9-10-44(21,5)35(45)34-36(64-34)48(46,22(47)16-42)68-41(47)60)63-40-33(67-39-29(56)27(54)25(52)20(18-50)62-39)31(30(57)32(66-40)37(58)59)65-38-28(55)26(53)24(51)19(17-49)61-38/h19-36,38-40,49-57H,8-18H2,1-7H3,(H,58,59)/t19-,20-,21+,22-,23+,24+,25-,26+,27+,28-,29-,30+,31+,32+,33-,34+,35-,36+,38+,39+,40-,44+,45-,46+,47+,48-/m1/s1
InChIKey: InChIKey=RGSOSFOWYJTERX-SKJSDXDOSA-N
Formula: C48H74O20
Molecular Weight: 971.091037
Exact Mass: 970.477345
NMR Solvent: P+W
MHz:
Calibration:
NMR references: 13C - Kuroda, M., Aoshima, T., Haraguchi, M., Young, M.C., Sakagami, H., Mimaki, Y. J Nat Prod (2006) 69, 1606-10
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) | 38.2 |
| 2 (CH2) | 26 |
| 3 (CH) | 89.4 |
| 4 (C) | 39.5 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 17.6 |
| 7 (CH2) | 31.2 |
| 8 (C) | 41.5 |
| 9 (CH) | 50.9 |
| 10 (C) | 36.2 |
| 11 (CH) | 52.7 |
| 12 (CH) | 57.2 |
| 13 (C) | 87.6 |
| 14 (C) | 40.8 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 21.5 |
| 17 (C) | 44 |
| 18 (CH) | 49.7 |
| 19 (CH2) | 37.9 |
| 20 (C) | 31.4 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 27.5 |
| 23 (CH3) | 27.5 |
| 24 (CH3) | 16 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 20.3 |
| 27 (CH3) | 18.8 |
| 28 (C) | 179 |
| 29 (CH3) | 33 |
| 30 (CH3) | 23.4 |
| 1' (CH) | 105 |
| 2' (CH) | 78.7 |
| 3' (CH) | 87.1 |
| 4' (CH) | 71.7 |
| 5' (CH) | 76.9 |
| 6' (C) | 171.6 |
| 1'' (CH) | 103.6 |
| 2'' (CH) | 76.2 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 72.3 |
| 5'' (CH) | 77.9 |
| 6'' (CH2) | 63.2 |
| 1''' (CH) | 104.9 |
| 2''' (CH) | 72.7 |
| 3''' (CH) | 75 |
| 4''' (CH) | 59.9 |
| 5''' (CH) | 77.1 |
| 6''' (CH2) | 62 |
