CID 171120989

Pileadimenthenol c

Structural Information

Molecular Formula
C20H32O4
SMILES
CC1=C[C@@H]([C@H](C[C@@H]1OO[C@]2(C=C[C@H](CC2=O)C(C)C)C)C(C)C)O
InChI
InChI=1S/C20H32O4/c1-12(2)15-7-8-20(6,19(22)10-15)24-23-18-11-16(13(3)4)17(21)9-14(18)5/h7-9,12-13,15-18,21H,10-11H2,1-6H3/t15-,16-,17+,18+,20+/m1/s1
InChIKey
PWDLCVZKNWOHQE-JGLNRKDHSA-N
Compound name
(2S,5R)-2-[(1S,4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]peroxy-2-methyl-5-propan-2-ylcyclohex-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 180.4
[M+Na]+ 359.219288 185.0
[M-H]- 335.222794 185.1
[M+NH4]+ 354.263893 195.8
[M+K]+ 375.193228 183.2
[M+H-H2O]+ 319.227330 174.3
[M+HCOO]- 381.228271 194.4
[M+CH3COO]- 395.243921 213.7
[M+Na-2H]- 357.204736 176.8
[M]+ 336.22952142 180.3
[M]- 336.23061858 180.3
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.