CID 49345

A'-neo-30-norgammacerane, 22-propyl-, (17alpha,22s)-

Structural Information

Molecular Formula
C32H56
SMILES
CCCC(C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C
InChI
InChI=1S/C32H56/c1-9-11-22(2)23-14-19-29(5)24(23)15-20-31(7)26(29)12-13-27-30(6)18-10-17-28(3,4)25(30)16-21-32(27,31)8/h22-27H,9-21H2,1-8H3
InChIKey
OWRSREGIRFCWIJ-UHFFFAOYSA-N
Compound name
5a,5b,8,8,11a,13b-hexamethyl-3-pentan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.4382 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.44548 216.6
[M+Na]+ 463.42742 219.2
[M-H]- 439.43092 219.2
[M+NH4]+ 458.47202 240.7
[M+K]+ 479.40136 210.9
[M+H-H2O]+ 423.43546 206.5
[M+HCOO]- 485.43640 216.5
[M+CH3COO]- 499.45205 221.2
[M+Na-2H]- 461.41287 210.7
[M]+ 440.43765 207.6
[M]- 440.43875 207.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.