CID 14314548

Cycloartane-3,24,25-triol

Structural Information

Molecular Formula
C30H52O3
SMILES
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
InChI
InChI=1S/C30H52O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-24,31-33H,8-18H2,1-7H3
InChIKey
BKRIPHYESIGPJC-UHFFFAOYSA-N
Compound name
6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylheptane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

460.39163 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.39891 208.4
[M+Na]+ 483.38085 215.0
[M+NH4]+ 478.42545 222.9
[M+K]+ 499.35479 204.7
[M-H]- 459.38435 216.6
[M+Na-2H]- 481.36630 214.4
[M]+ 460.39108 213.6
[M]- 460.39218 213.6
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