CID 131752241

7,13-eperudien-15-oic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1=CCC2C(CCCC2(C1CC/C(=C\C(=O)O)/C)C)(C)C
InChI
InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h8,13,16-17H,6-7,9-12H2,1-5H3,(H,21,22)/b14-13-
InChIKey
YUYHINCTHBQFIT-YPKPFQOOSA-N
Compound name
(Z)-5-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.24023 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 175.5
[M+Na]+ 327.22945 179.9
[M-H]- 303.23295 177.2
[M+NH4]+ 322.27405 195.1
[M+K]+ 343.20339 176.0
[M+H-H2O]+ 287.23749 170.7
[M+HCOO]- 349.23843 187.5
[M+CH3COO]- 363.25408 206.9
[M+Na-2H]- 325.21490 174.7
[M]+ 304.23968 172.4
[M]- 304.24078 172.4
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

patents stripe