CID 11573743

Ns00097364

Structural Information

Molecular Formula
C20H24O5
SMILES
CC(C)C1=C(C(=C2C(=C1)C(=O)[C@H]3C4C2(CCCC4(C)C)C(=O)O3)O)O
InChI
InChI=1S/C20H24O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,16-17,21,23H,5-7H2,1-4H3/t16-,17?,20?/m0/s1
InChIKey
SWVDNEGGBBYXGS-VXESANQCSA-N
Compound name
(9R)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-8,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16238 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.169656 177.6
[M+Na]+ 367.151598 186.4
[M-H]- 343.155104 182.3
[M+NH4]+ 362.196203 197.5
[M+K]+ 383.125538 183.0
[M+H-H2O]+ 327.159640 173.0
[M+HCOO]- 389.160581 187.8
[M+CH3COO]- 403.176231 213.5
[M+Na-2H]- 365.137046 178.5
[M]+ 344.16183142 178.2
[M]- 344.16292858 178.2
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.