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-CQXPFLIWSA-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)

Carbon NMR Peaks

Position PPM
1 (CH2) 31.6
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) 41.1
11 (CH) 116
12 (CH) 121.7
13 (C) 147.2
14 (C) 38.8
15 (CH2) 26
16 (CH2) 31.2
17 (C) 33
18 (CH) 44.5
19 (CH2) 38
20 (C) 40
21 (CH) 71.1
22 (CH2) 45.2
23 (CH3) 28.1
24 (CH3) 16.6
25 (CH3) 25.4
26 (CH3) 21.2
27 (CH3) 19.9
28 (CH3) 29.1
29 (CH2) 73.2
30 (CH3) 20.7
1' (CH) 102.4
2' (CH) 78.4
3' (CH) 79.1
4' (CH) 72.8
5' (CH) 76.6
6' (C) 170.4
1'' (CH) 104.7
2'' (CH) 78.2
3'' (CH) 77.9
4'' (CH) 72.8
5'' (CH) 76.6
6'' (C) 169.8
1''' (CH) 101.6
2''' (CH) 71.8
3''' (CH) 72.2
4''' (CH) 73.9
5''' (CH) 69.4
6''' (CH3) 18.7