Spektraris NMR
(20S,23S,24R)-20,25-Epoxy-3beta-[(2-O,6-O-di-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,23,24-triol
![(20S,23S,24R)-20,25-Epoxy-3beta-[(2-O,6-O-di-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,23,24-triol](/nmr/static/nmr/svg/19944.svg)
Common Name: (20S,23S,24R)-20,25-Epoxy-3beta-[(2-O,6-O-di-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,23,24-triol
Synonyms: (20S,23S,24R)-20,25-Epoxy-3beta-[(2-O,6-O-di-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,23,24-triol
CAS Registry Number:
InChI: InChI=1S/C46H78O18/c1-41(2)26-10-14-44(6)27(15-21(47)29-20(9-13-45(29,44)7)46(8)16-22(48)37(57)42(3,4)64-46)43(26,5)12-11-28(41)62-40-36(63-39-35(56)31(52)24(50)18-59-39)33(54)32(53)25(61-40)19-60-38-34(55)30(51)23(49)17-58-38/h20-40,47-57H,9-19H2,1-8H3/t20-,21+,22-,23+,24+,25+,26-,27+,28-,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,43-,44+,45+,46-/m0/s1
InChIKey: InChIKey=MHJGIILTHJAIRY-KANWYQKQSA-N
Formula: C46H78O18
Molecular Weight: 919.102519
Exact Mass: 918.518816
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Hu, L., Lou, F., Pan, R. J Nat Prod (2004) 67, 942-52
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) | 39.5 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 89.3 |
| 4 (C) | 39.9 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35.3 |
| 8 (C) | 40.2 |
| 9 (CH) | 50.6 |
| 10 (C) | 37.2 |
| 11 (CH2) | 32.2 |
| 12 (CH) | 70.8 |
| 13 (CH) | 49.5 |
| 14 (C) | 52.5 |
| 15 (CH2) | 32 |
| 16 (CH2) | 27.1 |
| 17 (CH) | 52.7 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 16.4 |
| 20 (C) | 79.6 |
| 21 (CH3) | 27.7 |
| 22 (CH2) | 37.5 |
| 23 (CH) | 67.3 |
| 24 (CH) | 81 |
| 25 (C) | 79.4 |
| 26 (CH3) | 24.8 |
| 27 (CH3) | 30.6 |
| 28 (CH3) | 28 |
| 29 (CH3) | 16.7 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 105.1 |
| 2' (CH) | 83.9 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 70.1 |
| 1'' (CH) | 107.1 |
| 2'' (CH) | 76.6 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 71.3 |
| 5'' (CH2) | 67.7 |
| 1''' (CH) | 106 |
| 2''' (CH) | 74.9 |
| 3''' (CH) | 76.7 |
| 4''' (CH) | 71.3 |
| 5''' (CH2) | 67.2 |
