Name | Value |
---|---|
C32H51NO8S | |
609.3335385920001 | |
O=C(O)C=CC(=O)O.O=C(OC1CC(C=C)(C)C(O)C(C)C23CCC(=O)C2C1(C)C(C)CC3)CSCCN(CC)CC | |
InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19?,20-,22+,24-,25-,26+,27-,28-;/m0./s1 | |
YXQXDXAHCSEVSD-IHAONTCTSA-N |
Name | Value |
---|---|
LC-ESI | |
NIH Pharmacologically Active Library | |
qTof | |
493.323 | |
1 | |
p3-H11_GH11_01_18316.mzXML | |
MS2 | |
GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE | |
VP/LMS, vphelan, Dorrestein | |
positive | |
6.668189003017781 | |
0.7708443839283915 | |
494.322 | |
[M+H]+ | |
234704.31943550982 ppm | |
-116.01950859200008 Da |