Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C42H64O17/c1-37-13-14-41(5)18(19(37)15-39(3,36(54)55)22(44)16-37)7-8-21-38(2)11-10-23(40(4,17-43)20(38)9-12-42(21,41)6)56-35-31(27(48)26(47)30(58-35)33(52)53)59-34-28(49)24(45)25(46)29(57-34)32(50)51/h7,19-31,34-35,43-49H,8-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,20+,21+,22+,23-,24-,25-,26-,27+,28+,29-,30-,31+,34-,35+,37-,38-,39-,40+,41+,42+/m0/s1

InChIKey: InChIKey=UICKYSVCOIQHBZ-CVYWWZAKSA-N

Formula: C42H64O17

Molecular Weight: 840.949

Exact Mass: 840.414351

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Ohtani, K., Kasai, R., Yang, C.R., Yamasaki, K., Zhou, J., Tanaka, O. Phytochemistry (1994) 36, 139-45

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
2 (CH2) 26.4
3 (CH) 90.5
4 (C) 44.4
5 (CH) 56.6
6 (CH2) 19.3
7 (CH2) 33.3
8 (C) 40
9 (CH) 48
10 (C) 36.8
11 (CH2) 24.1
12 (CH) 123.5
13 (C) 144.9
14 (C) 42.4
15 (CH2) 26
16 (CH2) 30.8
17 (C) 33.2
18 (CH) 46.7
19 (CH2) 36.3
20 (C) 48.8
21 (CH) 72.7
22 (CH2) 43.8
23 (CH3) 23.2
24 (CH2) 63.5
25 (CH3) 15.6
26 (CH3) 17
27 (CH3) 25.5
28 (CH3) 28.8
29 (C) 179.9
30 (CH3) 20.9
1' (CH) 104.6
2' (CH) 82.1
3' (CH) 77.4
4' (CH) 72.3
5' (CH) 76.9
6' (C) 170.3
1'' (CH) 105.7
2'' (CH) 75.6
3'' (CH) 77.9
4'' (CH) 72.7
5'' (CH) 77.7
6'' (C) 170