Name | Value |
---|---|
Natural Product; Saponin | |
InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1 | |
GZYPWOGIYAIIPV-JBDTYSNRSA-N | |
C54H92O23 | |
1108.602939204 | |
OCC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3CCC4(C)C3C(O)CC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)C(C)(C)C6CCC54C)C(O)C(O)C2O)C(O)C(O)C1O |
External Identifier | Value |
---|---|
41753-43-9 | |
8073937 | |
73148 CID:432524 CID:11968491 |
Name | Value |
---|---|
TY000001 | |
2016.01.19 (Created 2008.08.19, modified 2011.12.21) | |
Ken TANAKA | |
CC BY-SA | |
1108.60294 | |
Shimadzu LC20A-IT-TOFMS | |
LC-ESI-ITTOF | |
MS1 | |
-2.0V | |
200.0C | |
Ar | |
-3.50 kV | |
ESI | |
0.5V | |
0.1 sec/scan (m/z = 200-2100) | |
-3.5V | |
Waters Atlantis T3 (2.1 x 150 mm, 5 um) | |
40 C | |
10 % B to 100 % B/40 min | |
0.2 ml/min | |
955.500 sec | |
5 mM ammonium acetate | |
CH3CN | |
[M-H]- | |
negative | |
2.2523710764978127 | |
0.8534756146529716 |