CID 131752699

Rofficerone

Structural Information

Molecular Formula
C30H48O2
SMILES
CC1C2C3=CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CCC1(C)O)C)C)C)(C)C)C
InChI
InChI=1S/C30H48O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h9,19,21-22,24,32H,10-18H2,1-8H3
InChIKey
JGOGEYGCWRVPQA-UHFFFAOYSA-N
Compound name
11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

440.36542 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.37270 210.1
[M+Na]+ 463.35464 218.7
[M+NH4]+ 458.39924 227.1
[M+K]+ 479.32858 200.2
[M-H]- 439.35814 213.5
[M+Na-2H]- 461.34009 215.5
[M]+ 440.36487 213.4
[M]- 440.36597 213.4
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