Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C59H98O27/c1-24(2)10-9-16-59(76,54(75)86-52-46(74)41(69)37(65)30(20-60)81-52)28-13-18-57(7)27(28)11-12-33-55(5)17-15-34(56(6,23-61)32(55)14-19-58(33,57)8)83-53-48(85-50-44(72)40(68)36(64)26(4)80-50)47(29(62)21-77-53)84-51-45(73)42(70)38(66)31(82-51)22-78-49-43(71)39(67)35(63)25(3)79-49/h10,25-53,60-74,76H,9,11-23H2,1-8H3/t25-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43+,44+,45+,46+,47-,48+,49+,50-,51-,52-,53-,55-,56+,57+,58+,59-/m0/s1

InChIKey: InChIKey=WVRUQHZXPXZQKI-NMRGWEFWSA-N

Formula: C59H98O27

Molecular Weight: 1239.395545

Exact Mass: 1238.629548

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yang, Z., Chen, Q., Hu, L. Phytochemistry (2007) 68, 1752-61

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) 39.2
2 (CH2) 26.2
3 (CH) 91.5
4 (C) 50.5
5 (CH) 57.1
6 (CH2) 18.8
7 (CH2) 36.3
8 (C) 41
9 (CH) 51.2
10 (C) 37.2
11 (CH2) 22.5
12 (CH2) 24.4
13 (CH) 41.6
14 (C) 50.6
15 (CH2) 31.1
16 (CH2) 26.4
17 (CH) 49.1
18 (CH3) 39.2
19 (CH3) 16.8
20 (C) 79.4
21 (C) 176.2
22 (CH2) 40.2
23 (CH2) 19.4
24 (CH) 125.7
25 (C) 131.6
26 (CH3) 26.1
27 (CH3) 18.2
28 (CH3) 23.4
29 (CH2) 63.4
30 (CH3) 16.3
1' (CH) 102.8
2' (CH) 76.5
3' (CH) 80.8
4' (CH) 66.3
5' (CH2) 61.5
1'' (CH) 105.7
2'' (CH) 75.7
3'' (CH) 78.7
4'' (CH) 72.8
5'' (CH) 78.2
6'' (CH2) 68.2
1''' (CH) 101.7
2''' (CH) 72.4
3''' (CH) 73
4''' (CH) 74.2
5''' (CH) 71
6''' (CH3) 18.9
1'''' (CH) 102.8
2'''' (CH) 72.6
3'''' (CH) 72.8
4'''' (CH) 74.2
5'''' (CH) 70
6'''' (CH3) 18.7
1''''' (CH) 94.5
2''''' (CH) 70.4
3''''' (CH) 78.2
4''''' (CH) 72.6
5''''' (CH) 78.7
6''''' (CH2) 63.5