Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C53H88O22/c1-22(2)15-23-17-53(8,75-47-43(66)39(62)37(60)29(72-47)21-68-45-41(64)34(57)25(56)20-67-45)24-9-13-52(7)33(24)26(69-23)16-31-50(5)12-11-32(49(3,4)30(50)10-14-51(31,52)6)73-48-44(40(63)36(59)28(19-55)71-48)74-46-42(65)38(61)35(58)27(18-54)70-46/h15,23-48,54-66H,9-14,16-21H2,1-8H3/t23?,24?,25-,26-,27-,28-,29-,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,50+,51-,52-,53+/m1/s1

InChIKey: InChIKey=KJJBOCATJWJJRQ-BMJMJVRQSA-N

Formula: C53H88O22

Molecular Weight: 1077.254697

Exact Mass: 1076.576725

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Jiang, H.P., Qiu, Y.K., Cheng, D.R., Kang, T.G., Dou, D.Q. Magn Reson Chem (2008) 46, 786-90

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) 39.4
2 (CH2) 26.8
3 (CH) 88.9
4 (C) 39.7
5 (CH) 56.4
6 (CH2) 18.4
7 (CH2) 35.2
8 (C) 39.8
9 (CH) 50.6
10 (C) 37.1
11 (CH2) 30.1
12 (CH) 79.7
13 (CH) 49.8
14 (C) 51.3
15 (CH2) 32.6
16 (CH2) 25.6
17 (CH) 46.6
18 (CH3) 16.6
19 (CH3) 16.5
20 (C) 82
21 (CH3) 24.6
22 (CH2) 52.1
23 (CH) 72.6
24 (CH) 129.3
25 (C) 131.4
26 (CH3) 25.7
27 (CH3) 18.9
28 (CH3) 28.1
29 (CH3) 17
30 (CH3) 15.6
1' (CH) 105.1
2' (CH) 83.5
3' (CH) 78.3
4' (CH) 71.8
5' (CH) 78
6' (CH2) 62.9
1'' (CH) 106.1
2'' (CH) 77.2
3'' (CH) 78.4
4'' (CH) 71.8
5'' (CH) 78.1
6'' (CH2) 62.7
1''' (CH) 99.3
2''' (CH) 75.3
3''' (CH) 78.9
4''' (CH) 71.7
5''' (CH) 76.9
6''' (CH2) 70.8
1'''' (CH) 106.4
2'''' (CH) 74.9
3'''' (CH) 78
4'''' (CH) 71.2
5'''' (CH2) 67.2