Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C42H66O15/c1-19-9-14-41(37(53)57-35-33(31(49)29(47)23(18-44)55-35)56-34-32(50)30(48)28(46)22(17-43)54-34)15-16-42(36(51)52)21(27(41)20(19)2)7-8-25-39(5)12-11-26(45)38(3,4)24(39)10-13-40(25,42)6/h7,19-20,22-35,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1

InChIKey: InChIKey=SAWLKQVRJUTCQT-DTJUAWDLSA-N

Formula: C42H66O15

Molecular Weight: 810.966071

Exact Mass: 810.440171

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Hassanean, H.A., Elhamouly, M.M.A., Elmoghazy, S.A., Bishay, D.W. Phytochemistry (1993) 33, 667-70

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) 38.3
2 (CH2) 26.6
3 (CH) 78.8
4 (C) 38.8
5 (CH) 56.1
6 (CH2) 18.9
7 (CH2) 37.2
8 (C) 40.2
9 (CH) 47.1
10 (C) 39.3
11 (CH2) 23.3
12 (CH) 128.9
13 (C) 135.4
14 (C) 56.9
15 (CH2) 26.1
16 (CH2) 25.6
17 (C) 48.9
18 (CH) 54.6
19 (CH) 39
20 (CH) 37.5
21 (CH2) 30.4
22 (CH2) 36.3
23 (CH3) 19.1
24 (CH3) 28
25 (CH3) 16.5
26 (CH3) 18.1
27 (C) 177.8
28 (C) 176.5
29 (CH3) 16.6
30 (CH3) 21.2
1' (CH) 94.5
2' (CH) 83
3' (CH) 77
4' (CH) 72
5' (CH) 78.2
6' (CH2) 63
1'' (CH) 106.5
2'' (CH) 76.1
3'' (CH) 79.4
4'' (CH) 72.1
5'' (CH) 78.1
6'' (CH2) 62.9