Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C42H62O16/c1-37(2)20-10-13-42(7)21(9-8-18-19-16-40(5,36(53)54)22(43)17-38(19,3)14-15-41(18,42)6)39(20,4)12-11-23(37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h8-9,19-20,22-31,34-35,43-48H,10-17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,20-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,38-,39-,40-,41+,42+/m0/s1

InChIKey: InChIKey=VEPAVKSTRYVBJH-QYYBRKRKSA-N

Formula: C42H62O16

Molecular Weight: 822.933713

Exact Mass: 822.403786

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) 37.6
2 (CH2) 27.3
3 (CH) 89.4
4 (C) 39.7
5 (CH) 52
6 (CH2) 18.5
7 (CH2) 32.5
8 (C) 43.1
9 (C) 155.6
10 (C) 40.9
11 (CH) 115.9
12 (CH) 122.6
13 (C) 144.8
14 (C) 38.9
15 (CH2) 25.9
16 (CH2) 28.9
17 (C) 34.3
18 (CH) 44.2
19 (CH2) 42.7
20 (C) 50
21 (CH) 68.7
22 (CH2) 45.2
23 (CH3) 28.1
24 (CH3) 16.5
25 (CH3) 25.4
26 (CH3) 21.2
27 (CH3) 20.2
28 (CH3) 28.9
29 (C) 180.4
30 (CH3) 13.3
1' (CH) 104.9
2' (CH) 84.1
3' (CH) 77.4
4' (CH) 72.5
5' (CH) 76.6
6' (C) 170.4
1'' (CH) 106.6
2'' (CH) 76.2
3'' (CH) 77.6
4'' (CH) 72.8
5'' (CH) 17.3
6'' (C) 170.1