Spektraris NMR
22beta,24-Dihydroxy-21beta-(alpha-L-rhamnopyranosyloxy)oleana-12-ene-3beta-yl 2-O-[2-O,3-O-bis(alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranosiduronic acid
![22beta,24-Dihydroxy-21beta-(alpha-L-rhamnopyranosyloxy)oleana-12-ene-3beta-yl 2-O-[2-O,3-O-bis(alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranosiduronic acid](/nmr/static/nmr/svg/3499.svg)
Common Name: 22beta,24-Dihydroxy-21beta-(alpha-L-rhamnopyranosyloxy)oleana-12-ene-3beta-yl 2-O-[2-O,3-O-bis(alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranosiduronic acid
Synonyms: 22beta,24-Dihydroxy-21beta-(alpha-L-rhamnopyranosyloxy)oleana-12-ene-3beta-yl 2-O-[2-O,3-O-bis(alpha-L-rhamnopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranosiduronic acid
CAS Registry Number:
InChI: InChI=1S/C60H98O27/c1-22-31(63)35(67)40(72)50(78-22)83-43-34(66)27(20-61)81-54(46(43)86-51-41(73)36(68)32(64)23(2)79-51)85-45-39(71)38(70)44(49(76)77)84-53(45)82-30-14-15-57(7)28(58(30,8)21-62)13-16-60(10)29(57)12-11-25-26-19-55(4,5)48(47(75)56(26,6)17-18-59(25,60)9)87-52-42(74)37(69)33(65)24(3)80-52/h11,22-24,26-48,50-54,61-75H,12-21H2,1-10H3,(H,76,77)/t22-,23-,24-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45+,46+,47+,48-,50-,51-,52-,53+,54-,56+,57-,58+,59+,60+/m0/s1
InChIKey: InChIKey=GIJGGOJBRPTBJD-LXQKAAJLSA-N
Formula: C60H98O27
Molecular Weight: 1251.406281
Exact Mass: 1250.629548
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Woldemichael, G.M., Wink, M. Phytochemistry (2002) 60, 323-7
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) | 38.5 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 91.1 |
| 4 (C) | 43.8 |
| 5 (C) | 55.9 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.8 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.7 |
| 10 (C) | 36.6 |
| 11 (CH2) | 24 |
| 12 (CH) | 122.5 |
| 13 (C) | 144.3 |
| 14 (C) | 42 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 27.4 |
| 17 (C) | 39.3 |
| 18 (CH) | 44 |
| 19 (CH2) | 47.4 |
| 20 (C) | 36.8 |
| 21 (CH) | 84.2 |
| 22 (CH) | 78.8 |
| 23 (CH3) | 22.9 |
| 24 (CH2) | 63.5 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 26.8 |
| 28 (CH3) | 22 |
| 29 (CH3) | 31.2 |
| 30 (CH3) | 21.8 |
| 1' (CH) | 105.6 |
| 2' (CH) | 77.8 |
| 3' (CH) | 78.8 |
| 4' (CH) | 73.9 |
| 5' (CH) | 76.7 |
| 6' (C) | 172.8 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 78 |
| 3'' (CH) | 79.3 |
| 4'' (CH) | 78 |
| 5'' (CH) | 76.8 |
| 6'' (CH2) | 61.7 |
| 1''' (CH) | 102.7 |
| 2''' (CH) | 72.5 |
| 3''' (CH) | 72.6 |
| 4''' (CH) | 74.5 |
| 5''' (CH) | 69.6 |
| 6''' (CH3) | 19.2 |
| 1'''' (CH) | 102.3 |
| 2'''' (CH) | 72.5 |
| 3'''' (CH) | 72.6 |
| 4'''' (CH) | 74 |
| 5'''' (CH) | 69.6 |
| 6'''' (CH3) | 19.2 |
| 1''''' (CH) | 104.7 |
| 2''''' (CH) | 72.6 |
| 3''''' (CH) | 72.9 |
| 4''''' (CH) | 74.6 |
| 5''''' (CH) | 69.6 |
| 6''''' (CH3) | 18.7 |
