Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C53H86O23/c1-48(2)13-15-53(47(68)76-46-40(66)36(62)34(60)28(73-46)21-70-43-41(67)37(63)42(27(19-55)72-43)75-45-39(65)35(61)33(59)26(18-54)71-45)16-14-51(5)23(24(53)17-48)7-8-30-49(3)11-10-31(74-44-38(64)32(58)25(57)20-69-44)50(4,22-56)29(49)9-12-52(30,51)6/h7,24-46,54-67H,8-22H2,1-6H3/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35-,36-,37+,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1

InChIKey: InChIKey=VNIRKVBZYXNERY-PRAYJLKQSA-N

Formula: C53H86O23

Molecular Weight: 1091.238221

Exact Mass: 1090.555989

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Noorwala, M., Mohammad, F.V., Ahmad, V.U., Sener, B. Phytochemistry (1994) 36, 439-43

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) 39.6
2 (CH2) 26.3
3 (CH) 83.6
4 (C) 43.9
5 (CH) 48.3
6 (CH2) 19
7 (CH2) 33.1
8 (C) 40.8
9 (CH) 49.1
10 (C) 37.8
11 (CH2) 23.7
12 (CH) 123.8
13 (C) 144.9
14 (C) 43.1
15 (CH2) 29
16 (CH2) 24.6
17 (C) 48.1
18 (CH) 42.6
19 (CH2) 47.3
20 (C) 31.6
21 (CH2) 35
22 (CH2) 33.5
23 (CH2) 65.2
24 (CH3) 13.5
25 (CH3) 16.7
26 (CH3) 18
27 (CH3) 26.4
28 (C) 178.1
29 (CH3) 33.5
30 (CH3) 24.1
1' (CH) 106.2
2' (CH) 73
3' (CH) 74.6
4' (CH) 69.7
5' (CH) 66.1
6' (CH2) 95.8
1'' (CH) 73.9
2'' (CH) 78.1
3'' (CH) 71.4
4'' (CH) 77.8
5'' (CH) 69.6
6'' (CH2) 104.7
1''' (CH) 75.2
2''' (CH) 17.9
3''' (CH) 78.3
4''' (CH) 78
5''' (CH) 62.8
6''' (CH2) 106.2
1'''' (CH) 75.5
2'''' (CH) 78.1
3'''' (CH) 71.6
4'''' (CH) 78
5'''' (CH2) 62.6