CID 348025

Norfriedelane

Structural Information

Molecular Formula
C29H50
SMILES
CC1CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
InChI
InChI=1S/C29H50/c1-20-9-10-21-26(20,5)12-11-22-27(21,6)16-18-29(8)23-19-24(2,3)13-14-25(23,4)15-17-28(22,29)7/h20-23H,9-19H2,1-8H3
InChIKey
RKDQOCJIOSRKCA-UHFFFAOYSA-N
Compound name
3,3a,5b,7a,10,10,11b,13a-octamethyl-2,3,4,5,5a,6,7,8,9,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

398.39127 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.39855 201.7
[M+Na]+ 421.38049 207.4
[M-H]- 397.38399 205.5
[M+NH4]+ 416.42509 229.5
[M+K]+ 437.35443 199.2
[M+H-H2O]+ 381.38853 191.3
[M+HCOO]- 443.38947 203.9
[M+CH3COO]- 457.40512 208.3
[M+Na-2H]- 419.36594 199.6
[M]+ 398.39072 193.4
[M]- 398.39182 193.4
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

patents stripe