Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C48H74O21/c1-19-26(51)27(52)32(57)39(64-19)68-36-31(56)29(54)34(38(60)61)67-41(36)69-35-30(55)28(53)33(37(58)59)66-40(35)65-25-11-12-44(3)22(46(25,5)18-49)10-13-48(7)23(44)9-8-20-21-16-45(4,42(62)63)24(50)17-43(21,2)14-15-47(20,48)6/h8,19,21-36,39-41,49-57H,9-18H2,1-7H3,(H,58,59)(H,60,61)(H,62,63)/t19-,21+,22-,23-,24-,25+,26-,27+,28+,29+,30-,31+,32+,33+,34+,35-,36-,39-,40-,41+,43+,44+,45+,46-,47-,48-/m1/s1

InChIKey: InChIKey=YECJZKWIYHGDBM-PAIVJNATSA-N

Formula: C48H74O21

Molecular Weight: 987.090442

Exact Mass: 986.472259

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) 39.1
2 (CH2) 26.5
3 (CH) 90.3
4 (C) 44.3
5 (CH) 56.6
6 (CH2) 19.3
7 (CH2) 33.5
8 (C) 40.1
9 (CH) 47.9
10 (C) 36.8
11 (CH2) 24.1
12 (CH) 123.9
13 (C) 144.8
14 (C) 42.4
15 (CH2) 26.1
16 (CH2) 30.8
17 (C) 33.2
18 (CH) 46.7
19 (CH2) 36.2
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) 25.7
28 (CH3) 28.8
29 (C) 179.9
30 (CH3) 21
1' (CH) 102.4
2' (CH) 78.4
3' (CH) 78.4
4' (CH) 72.5
5' (CH) 76.5
6' (C) 170.4
1'' (CH) 104.8
2'' (CH) 78.2
3'' (CH) 77.8
4'' (CH) 73.2
5'' (CH) 16.7
6'' (C) 169.9
1''' (CH) 102
2''' (CH) 72
3''' (CH) 72.3
4''' (CH) 74.1
5''' (CH) 69.4
6''' (CH3) 18.7