CID 15957672

11.alpha.-hydroxymuzigadiolide

Structural Information

Molecular Formula
C15H20O4
SMILES
C[C@H]1CC[C@]2([C@H](C1=C)CC=C3[C@@]2([C@@H](OC3=O)O)O)C
InChI
InChI=1S/C15H20O4/c1-8-6-7-14(3)10(9(8)2)4-5-11-12(16)19-13(17)15(11,14)18/h5,8,10,13,17-18H,2,4,6-7H2,1,3H3/t8-,10-,13+,14-,15-/m0/s1
InChIKey
CLMMNIDCMQCWFF-QPGGAUJDSA-N
Compound name
(1R,5aS,7S,9aS,9bS)-1,9b-dihydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.13617 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 157.8
[M+Na]+ 287.12539 166.5
[M-H]- 263.12889 161.1
[M+NH4]+ 282.16999 180.2
[M+K]+ 303.09933 163.0
[M+H-H2O]+ 247.13343 154.5
[M+HCOO]- 309.13437 170.4
[M+CH3COO]- 323.15002 193.6
[M+Na-2H]- 285.11084 161.1
[M]+ 264.13562 155.1
[M]- 264.13672 155.1
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.