Spektraris NMR
(23S)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-[3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-24-one
![(23S)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-[3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-24-one](/nmr/static/nmr/svg/19608.svg)
Common Name: (23S)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-[3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-24-one
Synonyms: (23S)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-[3-O-(2-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyl)-2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-24-one
CAS Registry Number:
InChI: InChI=1S/C62H100O30/c1-8-28(65)32-17-24(2)62(92-32)16-15-60(6)27-9-10-35-58(4,26(27)11-14-61(60,62)7)13-12-36(59(35,5)23-64)87-54-47(79)44(76)41(73)34(86-54)22-83-55-49(39(71)30(67)20-81-55)90-57-51(91-53-46(78)43(75)37(69)25(3)84-53)48(42(74)33(18-63)85-57)88-56-50(40(72)31(68)21-82-56)89-52-45(77)38(70)29(66)19-80-52/h24-25,29-57,63-64,66-79H,8-23H2,1-7H3/t24-,25+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58-,59-,60+,61+,62+/m1/s1
InChIKey: InChIKey=JMQGEKVNXDAXFI-UMZOETFRSA-N
Formula: C62H100O30
Molecular Weight: 1325.441849
Exact Mass: 1324.629942
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kuroda, M., Mimaki, Y., Ori, K., Sakagami, H., Sashida, Y. J Nat Prod (2004) 67, 2099-103
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.8 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 88.9 |
| 4 (C) | 44.4 |
| 5 (CH) | 51.8 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 26.9 |
| 8 (C) | 135.5 |
| 9 (C) | 134.7 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 25.3 |
| 13 (C) | 48.9 |
| 14 (C) | 50.9 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 39.8 |
| 17 (C) | 97.1 |
| 18 (CH3) | 19.3 |
| 19 (CH3) | 19.5 |
| 20 (CH) | 43.7 |
| 21 (CH3) | 17.3 |
| 22 (CH2) | 36.9 |
| 23 (CH) | 81.6 |
| 24 (C) | 212.5 |
| 25 (CH2) | 32.4 |
| 26 (CH3) | 7.7 |
| 28 (CH3) | 23.2 |
| 29 (CH2) | 63.2 |
| 30 (CH3) | 26.4 |
| 1' (CH) | 106.1 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.3 |
| 4' (CH) | 72.6 |
| 5' (CH) | 75.5 |
| 6' (CH2) | 68.6 |
| 1'' (CH) | 101.2 |
| 2'' (CH) | 77.7 |
| 3'' (CH) | 71.6 |
| 4'' (CH) | 66.9 |
| 5'' (CH2) | 63.1 |
| 1''' (CH) | 102.6 |
| 2''' (CH) | 78.6 |
| 3''' (CH) | 85.9 |
| 4''' (CH) | 68.8 |
| 5''' (CH) | 77.8 |
| 6''' (CH2) | 61.8 |
| 1'''' (CH) | 102.2 |
| 2'''' (CH) | 72.2 |
| 3'''' (CH) | 72.7 |
| 4'''' (CH) | 74 |
| 5'''' (CH) | 70 |
| 6'''' (CH3) | 18.7 |
| 1''''' (CH) | 102.3 |
| 2''''' (CH) | 78.9 |
| 3''''' (CH) | 73.7 |
| 4''''' (CH) | 68.3 |
| 5''''' (CH2) | 65.9 |
| 1'''''' (CH) | 105.6 |
| 2'''''' (CH) | 75.1 |
| 3'''''' (CH) | 78.2 |
| 4'''''' (CH) | 70.9 |
| 5'''''' (CH2) | 67.4 |
