CID 73656854

[3as-(3aalpha,5abeta,6beta,9aalpha,9bbeta)]-decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3h)-one

Structural Information

Molecular Formula
C15H20O4
SMILES
CC12CCC3C(C1(C(=C)CCC2O)O)OC(=O)C3=C
InChI
InChI=1S/C15H20O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h10-12,16,18H,1-2,4-7H2,3H3
InChIKey
CFUWPZZLCJXNSQ-UHFFFAOYSA-N
Compound name
6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

264.13617 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 158.0
[M+Na]+ 287.12539 166.1
[M-H]- 263.12889 161.0
[M+NH4]+ 282.16999 180.3
[M+K]+ 303.09933 162.1
[M+H-H2O]+ 247.13343 154.9
[M+HCOO]- 309.13437 169.3
[M+CH3COO]- 323.15002 193.3
[M+Na-2H]- 285.11084 160.5
[M]+ 264.13562 153.2
[M]- 264.13672 153.2
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

patents stripe