CID 12314519

Priverogenin b

Structural Information

Molecular Formula
C30H50O4
SMILES
CC1(CC2C34CCC5C6(CCC(C(C6CCC5(C3(CC(C2(CO4)C(C1)O)O)C)C)(C)C)O)C)C
InChI
InChI=1S/C30H50O4/c1-24(2)14-20-29(22(32)15-24)17-34-30(20)13-9-19-26(5)11-10-21(31)25(3,4)18(26)8-12-27(19,6)28(30,7)16-23(29)33/h18-23,31-33H,8-17H2,1-7H3
InChIKey
ZAWNYVMZQOGILA-UHFFFAOYSA-N
Compound name
4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,10,22-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

474.3709 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.378176 212.0
[M+Na]+ 497.360118 218.1
[M-H]- 473.363624 214.3
[M+NH4]+ 492.404723 235.6
[M+K]+ 513.334058 212.3
[M+H-H2O]+ 457.368160 202.6
[M+HCOO]- 519.369101 206.8
[M+CH3COO]- 533.384751 216.8
[M+Na-2H]- 495.345566 211.6
[M]+ 474.37035142 205.4
[M]- 474.37144858 205.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe