(20S,23S,24R)-23-Acetoxy-20,25-epoxy-3beta-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,24-diol

(20S,23S,24R)-23-Acetoxy-20,25-epoxy-3beta-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,24-diol

Common Name: (20S,23S,24R)-23-Acetoxy-20,25-epoxy-3beta-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,24-diol

Synonyms: (20S,23S,24R)-23-Acetoxy-20,25-epoxy-3beta-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,24-diol

CAS Registry Number:

InChI: InChI=1S/C43H72O15/c1-20(45)54-24-17-43(9,58-39(4,5)35(24)52)21-10-14-42(8)29(21)22(46)16-27-40(6)13-12-28(38(2,3)26(40)11-15-41(27,42)7)56-37-34(32(50)31(49)25(18-44)55-37)57-36-33(51)30(48)23(47)19-53-36/h21-37,44,46-52H,10-19H2,1-9H3/t21-,22+,23+,24-,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35+,36-,37-,40-,41+,42+,43-/m0/s1

InChIKey: InChIKey=LGEPCXUCMCNZFV-JCLLALOGSA-N

Formula: C43H72O15

Molecular Weight: 829.024452

Exact Mass: 828.487122

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) 39.4
2 (CH2) 26.9
3 (CH) 89.3
4 (C) 39.9
5 (CH) 56.6
6 (CH2) 18.6
7 (CH2) 35.2
8 (C) 40.2
9 (CH) 50.4
10 (C) 37
11 (CH2) 32
12 (CH) 70.7
13 (CH) 49.7
14 (C) 52.3
15 (CH2) 31.7
16 (CH2) 27.6
17 (CH) 52.6
18 (CH3) 15.8
19 (CH3) 16.6
20 (C) 79.4
21 (CH3) 27.9
22 (CH2) 34.5
23 (CH) 71.8
24 (CH) 77.1
25 (C) 79.5
26 (CH3) 24.7
27 (CH3) 30.4
28 (CH3) 27.9
29 (CH3) 16.3
30 (CH3) 17.9
1' (CH) 105.3
2' (CH) 84.3
3' (CH) 78.5
4' (CH) 71.7
5' (CH) 78.3
6' (CH2) 63.1
1'' (CH) 107.2
2'' (CH) 76.7
3'' (CH) 78.2
4'' (CH) 71.2
5'' (CH2) 67.7
23a (C) 171.1
23b (CH3) 21.3