Spektraris NMR
(17S)-2 ,18 ,23-trihydroxy-3,19-dioxo-19(18 17)-abeo-28-norolean-12-en-25-oic acid - -glucopyranosyl ester ( (1R,2S,4aS,4bR,6aR,7R,9R,10aS,10bS)-3,4,
Common Name: (17S)-2 ,18 ,23-trihydroxy-3,19-dioxo-19(18 17)-abeo-28-norolean-12-en-25-oic acid - -glucopyranosyl ester ( (1R,2S,4aS,4bR,6aR,7R,9R,10aS,10bS)-3,4,
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H52O12/c1-30(2)10-12-34(28(30)44)13-11-32(4)17(25(34)42)6-7-21-33(32,5)9-8-20-31(3,16-37)26(43)18(38)14-35(20,21)29(45)47-27-24(41)23(40)22(39)19(15-36)46-27/h6,18-25,27,36-42H,7-16H2,1-5H3/t18-,19-,20+,21+,22-,23+,24-,25-,27+,31+,32-,33-,34-,35-/m1/s1
InChIKey: InChIKey=BLIYDGMZZIDYJS-OIMYOBGFSA-N
Formula: C35H52O12
Molecular Weight: 664.781535
Exact Mass: 664.345877
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Calis, I., Kirmizibekmez, H., Tasdemir, D., Ruedi, P. Helv Chim Acta (2004) 87, 611-9
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) | 46.8 |
| 2 (CH) | 71.3 |
| 3 (C) | 215 |
| 4 (C) | 54.2 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 34.3 |
| 8 (C) | 40.7 |
| 9 (CH) | 47.4 |
| 10 (C) | 48.6 |
| 11 (CH2) | 26 |
| 12 (CH) | 119.9 |
| 13 (C) | 142.1 |
| 14 (C) | 44.9 |
| 15 (CH2) | 27.2 |
| 16 (CH2) | 30.7 |
| 17 (C) | 57.6 |
| 18 (CH) | 72.3 |
| 19 (C) | 226.9 |
| 20 (C) | 46.3 |
| 21 (CH2) | 36.5 |
| 22 (CH2) | 24.6 |
| 23 (CH2) | 65 |
| 24 (CH3) | 19.3 |
| 25 (C) | 175.6 |
| 26 (CH3) | 17 |
| 27 (CH3) | 23.1 |
| 29 (CH3) | 23.9 |
| 30 (CH3) | 25.6 |
| 1' (CH) | 96.3 |
| 2' (CH) | 74 |
| 3' (CH) | 79.5 |
| 4' (CH) | 71.7 |
| 5' (CH) | 79.7 |
| 6' (CH2) | 62.9 |
