CID 102515494

Stellatate

Structural Information

Molecular Formula
C25H38O2
SMILES
C/C/1=C\CC/C(=C/C[C@]2(CC[C@@H]3[C@H](CC[C@]3([C@@H]2CC1)C)C(=C)C)C)/C(=O)O
InChI
InChI=1S/C25H38O2/c1-17(2)20-12-16-25(5)21(20)13-15-24(4)14-11-19(23(26)27)8-6-7-18(3)9-10-22(24)25/h7,11,20-22H,1,6,8-10,12-16H2,2-5H3,(H,26,27)/b18-7+,19-11-/t20-,21-,22-,24+,25-/m1/s1
InChIKey
FSKFLBQJBSQQKA-DMZCBJAKSA-N
Compound name
(1R,3Z,7E,11R,12R,15S,16R)-1,8,12-trimethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

370.28717 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29445 193.4
[M+Na]+ 393.27639 201.1
[M+NH4]+ 388.32099 203.0
[M+K]+ 409.25033 192.2
[M-H]- 369.27989 195.0
[M+Na-2H]- 391.26184 195.9
[M]+ 370.28662 194.8
[M]- 370.28772 194.8
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

No patent data available for this compound.