CID 15888158

15370-49-7

Structural Information

Molecular Formula
C18H22O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCOC2=O)CCC4=C3C=CC(=C4)O
InChI
InChI=1S/C18H22O3/c1-18-8-6-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)7-9-21-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey
WZONKPYLKWCOPN-CBZIJGRNSA-N
Compound name
(4aS,4bR,10bS,12aS)-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1569 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16418 164.9
[M+Na]+ 309.14612 170.8
[M-H]- 285.14962 169.1
[M+NH4]+ 304.19072 183.4
[M+K]+ 325.12006 167.1
[M+H-H2O]+ 269.15416 157.3
[M+HCOO]- 331.15510 175.0
[M+CH3COO]- 345.17075 174.7
[M+Na-2H]- 307.13157 169.9
[M]+ 286.15635 159.5
[M]- 286.15745 159.5
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.