CID 6477019

Isolate from agrostistachys hookeri

Structural Information

Molecular Formula
C19H28O3
SMILES
C/C/1=C/C(C/C(=C\C(C(=O)/C=C\C2C(C2(C)C)CC1)O)/C)O
InChI
InChI=1S/C19H28O3/c1-12-5-6-15-16(19(15,3)4)7-8-17(21)18(22)11-13(2)10-14(20)9-12/h7-9,11,14-16,18,20,22H,5-6,10H2,1-4H3/b8-7-,12-9-,13-11-
InChIKey
DOKOFSGHDDSASA-XADIWOEPSA-N
Compound name
(2Z,6Z,10Z)-5,9-dihydroxy-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.20386 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 165.2
[M+Na]+ 327.19308 175.0
[M-H]- 303.19658 167.5
[M+NH4]+ 322.23768 175.9
[M+K]+ 343.16702 172.0
[M+H-H2O]+ 287.20112 165.2
[M+HCOO]- 349.20206 180.6
[M+CH3COO]- 363.21771 200.8
[M+Na-2H]- 325.17853 165.7
[M]+ 304.20331 165.1
[M]- 304.20441 165.1
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.