Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C54H84O24/c1-21-30(58)33(61)38(66)44(71-21)76-41-35(63)31(59)22(2)72-46(41)78-48(70)54-16-15-49(3,4)17-24(54)23-9-10-27-50(5)13-12-29(51(6,20-56)26(50)11-14-52(27,7)53(23,8)18-28(54)57)74-47-42(37(65)36(64)40(75-47)43(68)69)77-45-39(67)34(62)32(60)25(19-55)73-45/h9,20-22,24-42,44-47,55,57-67H,10-19H2,1-8H3,(H,68,69)/t21-,22+,24-,25+,26+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36-,37-,38+,39+,40-,41-,42+,44+,45-,46+,47+,50-,51-,52+,53+,54+/m0/s1

InChIKey: InChIKey=DRNOJFXWLIIKNP-VKTHVNEQSA-N

Formula: C54H84O24

Molecular Weight: 1117.23248

Exact Mass: 1116.535254

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Lacaille Dubois, M.A., Hanquet, B., Cui, Z.H., Lou, Z.C., Wagner, H. Phytochemistry (1997) 45, 985-90

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 (CH2) 37.6
2 (CH2) 24.2
3 (CH) 82.2
4 (C) 54
5 (CH) 46
6 (CH2) 19.7
7 (CH2) 31.7
8 (C) 40.5
9 (CH) 47.3
10 (C) 35.5
11 (CH2) 22.8
12 (CH) 121.3
13 (C) 143.3
14 (C) 41
15 (CH2) 34.8
16 (CH) 12.5
17 (C) 47.9
18 (CH) 41
19 (CH2) 46.4
20 (C) 30.1
21 (CH2) 35.1
22 (CH2) 31.3
23 (CH) 209.5
24 (CH3) 10.3
25 (CH3) 15.5
26 (CH3) 16.6
27 (CH3) 26.3
28 (C) 175
29 (CH3) 32.8
30 (CH3) 24.3
1' (CH) 101.4
2' (CH) 81.5
3' (CH) 75.2
4' (CH) 72.3
5' (CH) 16.4
6' (C) 172.2
1'' (CH) 104.9
2'' (CH) 72.3
3'' (CH) 72.9
4'' (CH) 67.7
5'' (CH) 74
6'' (CH2) 59.8
1''' (CH) 93
2''' (CH) 74.2
3''' (CH) 74.4
4''' (CH) 71.1
5''' (CH) 70.6
6''' (CH3) 15.9
1'''' (CH) 99.4
2'''' (CH) 70
3'''' (CH) 70.1
4'''' (CH) 72.3
5'''' (CH) 68.3
6'''' (CH3) 18.1