Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C48H72O21/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)65-25-11-12-45(4)22(46(25,5)18-49)10-13-48(7)23(45)9-8-20-21-16-43(2,42(62)63)17-24(50)44(21,3)14-15-47(20,48)6/h8,19,21-23,25-36,39-41,49,51-57H,9-18H2,1-7H3,(H,58,59)(H,60,61)(H,62,63)/t19-,21+,22-,23-,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=DMTQUTPTHDFMKK-XOLYEMQSSA-N

Formula: C48H72O21

Molecular Weight: 985.074561

Exact Mass: 984.456609

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) 26.6
3 (CH) 90.3
4 (C) 44.3
5 (CH) 56.6
6 (CH2) 19.3
7 (CH2) 33.4
8 (C) 40
9 (CH) 47.8
10 (C) 36.8
11 (CH2) 24.1
12 (CH) 123.1
13 (C) 141.3
14 (C) 42.1
15 (CH2) 25.4
16 (CH2) 27.3
17 (C) 48.3
18 (CH) 46.8
19 (CH2) 41.5
20 (C) 44.5
21 (CH2) 46
22 (C) 214.2
23 (CH3) 23.1
24 (CH2) 63.4
25 (CH3) 16.5
26 (CH3) 16.9
27 (CH3) 25.4
28 (CH3) 20.9
29 (C) 178.8
30 (CH3) 21.4
1' (CH) 102.4
2' (CH) 78.4
3' (CH) 78.5
4' (CH) 72.5
5' (CH) 76.5
6' (C) 170.4
1'' (CH) 104.8
2'' (CH) 78.3
3'' (CH) 77.8
4'' (CH) 73.2
5'' (CH) 76.7
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