CID 44150277

93892-44-5

Structural Information

Molecular Formula
C33H44O2
SMILES
CC1(CCC2=CC(=C(C(=C21)CC3=C4C(=CC(=C3O)C5CCCC5)CCC4(C)C)O)C6CCCC6)C
InChI
InChI=1S/C33H44O2/c1-32(2)15-13-22-17-24(20-9-5-6-10-20)30(34)26(28(22)32)19-27-29-23(14-16-33(29,3)4)18-25(31(27)35)21-11-7-8-12-21/h17-18,20-21,34-35H,5-16,19H2,1-4H3
InChIKey
BFMRXSZZYNJRHW-UHFFFAOYSA-N
Compound name
6-cyclopentyl-4-[(6-cyclopentyl-5-hydroxy-3,3-dimethyl-1,2-dihydroinden-4-yl)methyl]-3,3-dimethyl-1,2-dihydroinden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.33414 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.34142 221.0
[M+Na]+ 495.32336 226.3
[M-H]- 471.32686 233.5
[M+NH4]+ 490.36796 241.0
[M+K]+ 511.29730 217.7
[M+H-H2O]+ 455.33140 216.4
[M+HCOO]- 517.33234 233.1
[M+CH3COO]- 531.34799 228.8
[M+Na-2H]- 493.30881 208.7
[M]+ 472.33359 217.3
[M]- 472.33469 217.3
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.