CID 495441

Colladonin

Structural Information

Molecular Formula
C24H30O4
SMILES
CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C
InChI
InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3
InChIKey
FCWYNTDTQPCVPG-UHFFFAOYSA-N
Compound name
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

382.21442 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22170 192.2
[M+Na]+ 405.20364 205.8
[M+NH4]+ 400.24824 203.1
[M+K]+ 421.17758 194.0
[M-H]- 381.20714 198.1
[M+Na-2H]- 403.18909 198.4
[M]+ 382.21387 196.3
[M]- 382.21497 196.3
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

patents stripe