CID 25132131

Viteagnusin d

Structural Information

Molecular Formula
C20H36O2
SMILES
C[C@@H]1CC[C@@H]2[C@@]([C@]1(CCC(C)(C=C)O)O)(CCCC2(C)C)C
InChI
InChI=1S/C20H36O2/c1-7-18(5,21)13-14-20(22)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18?,19+,20-/m1/s1
InChIKey
QNIUYBRZAVVKNV-NJNUCJBSSA-N
Compound name
(1R,2R,4aS,8aS)-1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.27155 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.27883 176.9
[M+Na]+ 331.26077 181.6
[M-H]- 307.26427 177.3
[M+NH4]+ 326.30537 197.8
[M+K]+ 347.23471 177.5
[M+H-H2O]+ 291.26881 173.6
[M+HCOO]- 353.26975 186.2
[M+CH3COO]- 367.28540 204.9
[M+Na-2H]- 329.24622 179.6
[M]+ 308.27100 172.9
[M]- 308.27210 172.9
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.