1a,3b-Hydroxyimberbic acid-23-O-a-[L-4-acetyl-rhamnopyranosyl]-29-O-a-rhamnopyranoside

1a,3b-Hydroxyimberbic acid-23-O-a-[L-4-acetyl-rhamnopyranosyl]-29-O-a-rhamnopyranoside

Common Name: 1a,3b-Hydroxyimberbic acid-23-O-a-[L-4-acetyl-rhamnopyranosyl]-29-O-a-rhamnopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C44H70O14/c1-21-30(48)31(49)33(51)37(55-21)58-38(53)40(5)15-14-39(4)16-17-42(7)24(25(39)19-40)10-11-27-43(42,8)13-12-26-41(6,28(46)18-29(47)44(26,27)9)20-54-36-34(52)32(50)35(22(2)56-36)57-23(3)45/h10,21-22,25-37,46-52H,11-20H2,1-9H3/t21-,22+,25+,26+,27+,28+,29+,30-,31+,32+,33+,34-,35+,36-,37+,39-,40-,41+,42-,43-,44+/m1/s1

InChIKey: InChIKey=QSSXEKOFQNYXOA-VTDBIXQFSA-N

Formula: C44H70O14

Molecular Weight: 823.019901

Exact Mass: 822.476557

NMR Solvent: C5D5N

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) 71.7
2 (CH2) 36.5
3 (CH) 66.7
4 (C) 43
5 (CH) 41.5
6 (CH2) 18.4
7 (CH2) 33.2
8 (C) 40.4
9 (CH) 38.8
10 (C) 41.5
11 (CH2) 24.2
12 (CH) 123
13 (C) 144.7
14 (C) 43
15 (CH2) 27.2
16 (CH2) 29
17 (C) 33.2
18 (CH) 46.8
19 (CH2) 41.5
20 (C) 43.8
21 (CH2) 30.8
22 (CH2) 36.9
23 (CH2) 71.4
24 (CH3) 13.5
25 (CH3) 17.6
26 (CH3) 17.9
27 (CH3) 26.7
28 (CH3) 28.8
29 (C) 177.5
30 (CH3) 19.9
1' (CH) 101.8
2' (CH) 73.2
3' (CH) 71
4' (CH) 76.1
5' (CH) 67.6
6' (CH3) 18.4
1'' (CH) 96
2'' (CH) 71.7
3'' (CH) 73
4'' (CH) 72.7
5'' (CH) 74
6'' (CH3) 19.1
4'a (C) 171.2
4'b (CH3) 21.6