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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C42H70O14/c1-20(43)53-25-17-42(9,56-38(4,5)34(25)50)21-10-14-41(8)29(21)22(44)16-27-39(6)13-12-28(37(2,3)26(39)11-15-40(27,41)7)54-36-33(31(48)24(46)19-52-36)55-35-32(49)30(47)23(45)18-51-35/h21-36,44-50H,10-19H2,1-9H3/t21-,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,32+,33+,34+,35-,36-,39-,40+,41+,42-/m0/s1

InChIKey: InChIKey=FNXYRVWTRCZIIF-ONJGLDPUSA-N

Formula: C42H70O14

Molecular Weight: 798.998429

Exact Mass: 798.476557

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) 89.1
4 (C) 40.1
5 (CH) 56.8
6 (CH2) 18.7
7 (CH2) 35.3
8 (C) 40.3
9 (CH) 50.5
10 (C) 37.3
11 (CH2) 32.1
12 (CH) 70.8
13 (CH) 49.8
14 (C) 52.5
15 (CH2) 31.8
16 (CH2) 27.8
17 (CH) 52.8
18 (CH3) 16
19 (CH3) 16.8
20 (C) 79.5
21 (CH3) 27.3
22 (CH2) 34.6
23 (CH) 71.8
24 (CH) 77.1
25 (C) 79.7
26 (CH3) 24.9
27 (CH3) 30.6
28 (CH3) 28
29 (CH3) 16.4
30 (CH3) 18
1' (CH) 105.9
2' (CH) 84.2
3' (CH) 78.4
4' (CH) 71.3
5' (CH2) 67
1'' (CH) 107.3
2'' (CH) 76.8
3'' (CH) 78.5
4'' (CH) 71.2
5'' (CH2) 67.8
23a (C) 171.1
23b (CH3) 21.4