Common Name: Lotoideside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C52H88O21/c1-21-32(57)37(62)41(72-44-39(64)34(59)25(56)20-67-44)46(68-21)71-30-13-15-50(7)29-11-10-28-49(6)14-12-22(48(4,5)73-45-40(65)36(61)35(60)27(18-53)70-45)31(49)23(54)16-51(28,8)52(29,9)17-26(42(50)47(30,2)3)69-43-38(63)33(58)24(55)19-66-43/h21-46,53-65H,10-20H2,1-9H3/t21-,22-,23-,24+,25+,26-,27+,28+,29+,30?,31+,32-,33-,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,49+,50+,51+,52+/m0/s1
InChIKey: InChIKey=KGFVFIYPLBMVTO-GVDHJMNRSA-N
Formula: C52H88O21
Molecular Weight: 1049.244556
Exact Mass: 1048.58181
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Biswas, T., Gupta, M., Achari, B., Pal, B.C. Phytochemistry (2005) 66, 621-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 39.4 |
2 (CH2) | 26.4 |
3 (CH) | 89.1 |
4 (C) | 39.2 |
5 (CH) | 60.7 |
6 (CH) | 80.1 |
7 (CH2) | 43.9 |
8 (C) | 43 |
9 (CH) | 49.8 |
10 (C) | 40.9 |
11 (CH2) | 21.3 |
12 (CH2) | 24.1 |
13 (CH) | 49 |
14 (C) | 43.8 |
15 (CH2) | 43.7 |
16 (CH) | 65.9 |
17 (CH) | 62.1 |
18 (C) | 45.7 |
19 (CH2) | 42.1 |
20 (CH2) | 27.5 |
21 (CH) | 50.4 |
22 (C) | 82.9 |
23 (CH3) | 30.6 |
24 (CH3) | 16.5 |
25 (CH3) | 17.8 |
26 (CH3) | 18.8 |
27 (CH3) | 18.7 |
28 (CH3) | 17.8 |
29 (CH3) | 26.6 |
30 (CH3) | 24.9 |
1' (CH) | 100.8 |
2' (CH) | 71.3 |
3' (CH) | 71.1 |
4' (CH) | 73.2 |
5' (CH) | 68.8 |
6' (CH3) | 18.8 |
1'' (CH) | 105.6 |
2'' (CH) | 77.9 |
3'' (CH) | 78.5 |
4'' (CH) | 70.4 |
5'' (CH2) | 66.1 |
1''' (CH) | 105.9 |
2''' (CH) | 74.5 |
3''' (CH) | 79.6 |
4''' (CH) | 70.7 |
5''' (CH2) | 66.3 |
1'''' (CH) | 97.5 |
2'''' (CH) | 74.5 |
3'''' (CH) | 77.7 |
4'''' (CH) | 71.1 |
5'''' (CH) | 77.6 |
6'''' (CH2) | 62 |