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]+ 265.143446 157.8
[M+Na]+ 287.125388 166.5
[M-H]- 263.128894 161.1
[M+NH4]+ 282.169993 180.2
[M+K]+ 303.099328 163.0
[M+H-H2O]+ 247.133430 154.5
[M+HCOO]- 309.134371 170.4
[M+CH3COO]- 323.150021 193.6
[M+Na-2H]- 285.110836 161.1
[M]+ 264.13562142 155.1
[M]- 264.13671858 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

literature stripe

Patent stripe

No patent data available for this compound.