(23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-(2-O-D-apio-beta-D-furanosyl-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-(2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione

Common Name: (23R)-17,23-Epoxy-29-hydroxy-3beta-[6-O-[2-O-(2-O-D-apio-beta-D-furanosyl-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-(2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyloxy]-27-norlanosta-8-ene-15,24-dione

CAS Registry Number:

InChI: InChI=1S/C51H80O23/c1-7-25(55)27-14-22(2)51(74-27)15-31(57)49(6)24-8-9-30-46(3,23(24)10-13-48(49,51)5)12-11-32(47(30,4)19-53)71-42-38(63)36(61)35(60)29(70-42)18-67-43-39(33(58)26(56)17-66-43)72-44-40(37(62)34(59)28(16-52)69-44)73-45-41(64)50(65,20-54)21-68-45/h22,26-30,32-45,52-54,56,58-65H,7-21H2,1-6H3/t22-,26+,27-,28-,29-,30-,32+,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48+,49-,50-,51+/m1/s1

InChIKey: InChIKey=CMCAALWJSWZRIK-NAQVGAQSSA-N

Formula: C51H80O23

Molecular Weight: 1061.169104

Exact Mass: 1060.509039

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) 35.7
2 (CH2) 27.5
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) 58.1
15 (C) 215
16 (CH2) 49.4
17 (C) 91.2
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) 23.2
29 (CH2) 63.2
30 (CH3) 24.5
1' (CH) 106.1
2' (CH) 75.4
3' (CH) 78.2
4' (CH) 71.3
5' (CH) 75.7
6' (CH2) 68.9
1'' (CH) 101.4
2'' (CH) 78.3
3'' (CH) 72.1
4'' (CH) 66.9
5'' (CH2) 62.2
1''' (CH) 103.6
2''' (CH) 79.8
3''' (CH) 79.6
4''' (CH) 72.5
5''' (CH) 78.5
6''' (CH2) 63.3
1'''' (CH) 111.1
2'''' (CH) 77.9
3'''' (C) 80.4
4'''' (CH2) 65.9
5'''' (CH2) 75.4