1a,3b-Hydroxyimberbic acid-23-O-a-L-3,4-diacetylrhamnopyranoside-29-O-a-rhamnopyranoside

1a,3b-Hydroxyimberbic acid-23-O-a-L-3,4-diacetylrhamnopyranoside-29-O-a-rhamnopyranoside

Common Name: 1a,3b-Hydroxyimberbic acid-23-O-a-L-3,4-diacetylrhamnopyranoside-29-O-a-rhamnopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C46H72O15/c1-22-32(51)33(52)34(53)39(57-22)61-40(55)42(6)16-15-41(5)17-18-44(8)26(27(41)20-42)11-12-29-45(44,9)14-13-28-43(7,30(49)19-31(50)46(28,29)10)21-56-38-35(54)37(60-25(4)48)36(23(2)58-38)59-24(3)47/h11,22-23,27-39,49-54H,12-21H2,1-10H3/t22-,23+,27+,28+,29+,30+,31+,32-,33+,34+,35-,36+,37+,38-,39+,41-,42-,43+,44-,45-,46+/m1/s1

InChIKey: InChIKey=HQBXVJDKSLYLBE-FPXKBJBVSA-N

Formula: C46H72O15

Molecular Weight: 865.056659

Exact Mass: 864.487122

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Katerere, D.R., Gray, A.I., Nash, R.J., Waigh, R.D. Phytochemistry (2003) 63, 81-8

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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 (CH) 73
2 (CH2) 35
3 (CH) 67.7
4 (C) 41.3
5 (CH) 42
6 (CH2) 19.4
7 (CH2) 33.4
8 (C) 41.3
9 (CH) 39.6
10 (C) 43.7
11 (CH2) 24.6
12 (CH) 125
13 (C) 145.5
14 (C) 42.4
15 (CH2) 27.8
16 (CH2) 28.4
17 (C) 34
18 (CH) 47.9
19 (CH2) 42.2
20 (C) 43.8
21 (CH2) 30.5
22 (CH2) 37.3
23 (CH2) 71.6
24 (CH3) 13.2
25 (CH3) 17.8
26 (CH3) 18.3
27 (CH3) 27.1
28 (CH3) 29.1
29 (C) 178.6
30 (CH3) 20.1
1' (CH) 102
2' (CH) 70.7
3' (CH) 73.1
4' (CH) 73
5' (CH) 68.1
6' (CH3) 18.2
1'' (CH) 95.7
2'' (CH) 72.6
3'' (CH) 73.8
4'' (CH) 74
5'' (CH) 73.8
6'' (CH3) 18.6
3'a (C) 172.3
3'b (CH3) 21.3
4'a (C) 172.4
4'b (CH3) 21.4