Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H74O19/c1-20-27(51)28(52)33(57)40(62-20)66-37-32(56)30(54)35(39(60)61)65-42(37)67-36-31(55)29(53)34(38(58)59)64-41(36)63-26-12-13-46(6)23(43(26,2)3)11-14-48(8)24(46)10-9-21-22-17-45(5,19-49)25(50)18-44(22,4)15-16-47(21,48)7/h9-10,20,22-23,25-37,40-42,49-57H,11-19H2,1-8H3,(H,58,59)(H,60,61)/t20-,22+,23+,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,40-,41-,42+,44+,45-,46+,47-,48-/m1/s1
InChIKey: InChIKey=CWCLTZYHADZIFW-UTRZZLQKSA-N
Formula: C48H74O19
Molecular Weight: 955.091632
Exact Mass: 954.48243
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) | 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) | 155.1 |
10 (C) | 41 |
11 (CH) | 116 |
12 (CH) | 121.8 |
13 (C) | 146.1 |
14 (C) | 38.4 |
15 (CH2) | 26 |
16 (CH2) | 28.9 |
17 (C) | 34.4 |
18 (CH) | 44.9 |
19 (CH2) | 41.9 |
20 (C) | 41.2 |
21 (CH) | 69.7 |
22 (CH2) | 45.8 |
23 (CH3) | 28.1 |
24 (CH3) | 16.5 |
25 (CH3) | 25.4 |
26 (CH3) | 21.3 |
27 (CH3) | 20.3 |
28 (CH3) | 28.8 |
29 (CH2) | 71.9 |
30 (CH3) | 13.9 |
1' (CH) | 102.6 |
2' (CH) | 78.5 |
3' (CH) | 79 |
4' (CH) | 72.9 |
5' (CH) | 76.7 |
6' (C) | 170.3 |
1'' (CH) | 104.6 |
2'' (CH) | 78.3 |
3'' (CH) | 77.8 |
4'' (CH) | 12.9 |
5'' (CH) | 76.1 |
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 |