Spektraris NMR
(23R)-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-15,24-dione
![(23R)-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-15,24-dione](/nmr/static/nmr/svg/19609.svg)
Common Name: (23R)-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-15,24-dione
Synonyms: (23R)-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-15,24-dione
CAS Registry Number:
InChI: InChI=1S/C62H98O31/c1-8-27(65)31-15-23(2)62(93-31)16-35(69)61(7)26-9-10-34-58(4,25(26)11-14-60(61,62)6)13-12-36(59(34,5)22-64)88-54-47(80)44(77)41(74)33(87-54)21-84-55-49(39(72)29(67)19-82-55)91-57-51(92-53-46(79)43(76)37(70)24(3)85-53)48(42(75)32(17-63)86-57)89-56-50(40(73)30(68)20-83-56)90-52-45(78)38(71)28(66)18-81-52/h23-24,28-34,36-57,63-64,66-68,70-80H,8-22H2,1-7H3/t23-,24+,28-,29+,30+,31-,32-,33-,34-,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=UHKZBJRPJJUPOP-VILUTDOHSA-N
Formula: C62H98O31
Molecular Weight: 1339.425372
Exact Mass: 1338.609206
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) | 35.6 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 88.9 |
| 4 (C) | 44.4 |
| 5 (CH) | 51.4 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 27.5 |
| 8 (C) | 133.1 |
| 9 (C) | 136.6 |
| 10 (C) | 37.3 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 23.3 |
| 13 (C) | 47.4 |
| 14 (C) | 58 |
| 15 (C) | 215 |
| 16 (CH2) | 49.4 |
| 17 (C) | 91.1 |
| 18 (CH3) | 20.4 |
| 19 (CH3) | 19.3 |
| 20 (CH) | 41 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 36 |
| 23 (CH) | 80.3 |
| 24 (C) | 212.3 |
| 25 (CH2) | 32 |
| 26 (CH3) | 7.8 |
| 28 (CH3) | 23.1 |
| 29 (CH2) | 63.1 |
| 30 (CH3) | 24.5 |
| 1' (CH) | 106.1 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.2 |
| 4' (CH) | 72.4 |
| 5' (CH) | 75.6 |
| 6' (CH2) | 68.7 |
| 1'' (CH) | 101.3 |
| 2'' (CH) | 77.6 |
| 3'' (CH) | 71.8 |
| 4'' (CH) | 67.8 |
| 5'' (CH2) | 63.1 |
| 1''' (CH) | 102.5 |
| 2''' (CH) | 78.7 |
| 3''' (CH) | 85.8 |
| 4''' (CH) | 68.8 |
| 5''' (CH) | 77.8 |
| 6''' (CH2) | 61.9 |
| 1'''' (CH) | 102.1 |
| 2'''' (CH) | 72.2 |
| 3'''' (CH) | 72.5 |
| 4'''' (CH) | 74 |
| 5'''' (CH) | 69.9 |
| 6'''' (CH3) | 18.7 |
| 1''''' (CH) | 102.1 |
| 2''''' (CH) | 78.9 |
| 3''''' (CH) | 73.7 |
| 4''''' (CH) | 68.2 |
| 5''''' (CH2) | 65.9 |
| 1'''''' (CH) | 105.6 |
| 2'''''' (CH) | 75 |
| 3'''''' (CH) | 78 |
| 4'''''' (CH) | 70.9 |
| 5'''''' (CH2) | 67.3 |
