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]+ 337.23735 180.4
[M+Na]+ 359.21929 185.0
[M-H]- 335.22279 185.1
[M+NH4]+ 354.26389 195.8
[M+K]+ 375.19323 183.2
[M+H-H2O]+ 319.22733 174.3
[M+HCOO]- 381.22827 194.4
[M+CH3COO]- 395.24392 213.7
[M+Na-2H]- 357.20474 176.8
[M]+ 336.22952 180.3
[M]- 336.23062 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.