CID 500897

(10bs,3as,7r)-7-methoxy-10b,3a-dimethyl-1,2,3,5,7,8,10b,10c,3a,6a-decahydro-5,8-dioxaacephenanthrylene-4,9-dione

Structural Information

Molecular Formula
C17H20O5
SMILES
C[C@]12CCC[C@]3([C@@H]1C(=CC4C2=CC(=O)O[C@H]4OC)OC3=O)C
InChI
InChI=1S/C17H20O5/c1-16-5-4-6-17(2)13(16)11(21-15(17)19)7-9-10(16)8-12(18)22-14(9)20-3/h7-9,13-14H,4-6H2,1-3H3/t9?,13-,14-,16-,17+/m1/s1
InChIKey
DZAMVLNDUOMAIK-OSUZTDPYSA-N
Compound name
(1S,6R,12S,16R)-6-methoxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,8-diene-4,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.13107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13835 164.6
[M+Na]+ 327.12029 173.4
[M-H]- 303.12379 171.1
[M+NH4]+ 322.16489 186.2
[M+K]+ 343.09423 172.4
[M+H-H2O]+ 287.12833 159.3
[M+HCOO]- 349.12927 177.0
[M+CH3COO]- 363.14492 176.6
[M+Na-2H]- 325.10574 170.4
[M]+ 304.13052 167.3
[M]- 304.13162 167.3
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.