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)
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 |