CID 21118226

Dtxsid50887085

Structural Information

Molecular Formula
C24H34O2
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)COC(=O)C(=C)C)C
InChI
InChI=1S/C24H34O2/c1-16(2)18-8-10-20-19(14-18)9-11-21-23(5,12-7-13-24(20,21)6)15-26-22(25)17(3)4/h8,10,14,16,21H,3,7,9,11-13,15H2,1-2,4-6H3/t21-,23-,24+/m0/s1
InChIKey
UWLWNCBJWXHVRS-OEMFJLHTSA-N
Compound name
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.2559 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.26318 189.2
[M+Na]+ 377.24512 193.2
[M-H]- 353.24862 192.6
[M+NH4]+ 372.28972 208.0
[M+K]+ 393.21906 189.0
[M+H-H2O]+ 337.25316 182.4
[M+HCOO]- 399.25410 199.9
[M+CH3COO]- 413.26975 219.8
[M+Na-2H]- 375.23057 188.2
[M]+ 354.25535 187.1
[M]- 354.25645 187.1
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.