3‚,20S,24S-Trihydroxydammar-25-ene-21,28-dioic acid 3-O-{-[R-L-rhamnopyranosyl(1f2)][R-L-rhamnopyranosyl(1f6)-‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside

3‚,20S,24S-Trihydroxydammar-25-ene-21,28-dioic acid 3-O-{-[R-L-rhamnopyranosyl(1f2)][R-L-rhamnopyranosyl(1f6)-‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside

Common Name: 3‚,20S,24S-Trihydroxydammar-25-ene-21,28-dioic acid 3-O-{-[R-L-rhamnopyranosyl(1f2)][R-L-rhamnopyranosyl(1f6)-‚-D-glucopyranosyl(1f3)]-R-L-arabinopyranosyl}-21-O-‚-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C59H96O29/c1-22(2)27(61)12-18-59(78,54(77)88-51-45(74)40(69)36(65)29(19-60)83-51)26-11-16-56(6)25(26)9-10-31-55(5)15-14-33(58(8,53(75)76)32(55)13-17-57(31,56)7)85-52-47(87-49-43(72)39(68)35(64)24(4)82-49)46(28(62)20-79-52)86-50-44(73)41(70)37(66)30(84-50)21-80-48-42(71)38(67)34(63)23(3)81-48/h23-52,60-74,78H,1,9-21H2,2-8H3,(H,75,76)/t23-,24-,25+,26-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43+,44+,45+,46-,47+,48+,49-,50-,51-,52-,55+,56+,57+,58+,59-/m0/s1

InChIKey: InChIKey=KOINHMTZWMERPV-AXXSXZCKSA-N

Formula: C59H96O29

Molecular Weight: 1269.378473

Exact Mass: 1268.603727

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yin, F., Zhang, Y., Yang, Z., Cheng, Q., Hu, L. J Nat Prod (2006) 69, 1394-8

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) 40
2 (CH2) 26.2
3 (CH) 88.7
4 (C) 50.1
5 (CH) 57.5
6 (CH2) 20.8
7 (CH2) 36.2
8 (C) 40.9
9 (CH) 51
10 (C) 38
11 (CH2) 22.6
12 (CH2) 24.3
13 (CH) 41.6
14 (C) 50.5
15 (CH2) 31
16 (CH2) 27.4
17 (CH) 49.2
18 (CH3) 16.3
19 (CH3) 14.8
20 (C) 79.3
21 (C) 176.1
22 (CH2) 30.5
23 (CH2) 30.3
24 (CH) 75.8
25 (C) 150
26 (CH2) 110
27 (CH3) 18.5
28 (CH3) 24.8
29 (C) 178
30 (CH3) 16.8
1' (CH) 103.9
2' (CH) 75.4
3' (CH) 81.5
4' (CH) 67.2
5' (CH2) 62.8
1'' (CH) 101.8
2'' (CH) 72.9
3'' (CH) 72.6
4'' (CH) 74.2
5'' (CH) 70.3
6'' (CH3) 18.8
1''' (CH) 106
2''' (CH) 75.6
3''' (CH) 78.6
4''' (CH) 74.3
5''' (CH) 78.4
6''' (CH2) 68.1
1'''' (CH) 102.8
2'''' (CH) 72.1
3'''' (CH) 72.9
4'''' (CH) 74.2
5'''' (CH) 70
6'''' (CH3) 18.9
1''''' (CH) 94.4
2''''' (CH) 71
3''''' (CH) 78.6
4''''' (CH) 72.4
5''''' (CH) 78.6
6''''' (CH2) 63.2