CID 121231416

Am7499

Structural Information

Molecular Formula
C24H36O5
SMILES
CCCCOC(=O)C(C)(C)C1=CC(=C2[C@@H]3C[C@@H](CC[C@H]3C(OC2=C1)(C)C)CO)O
InChI
InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
InChIKey
OSVHLUXLWQLPIY-KBAYOESNSA-N
Compound name
butyl 2-[(6aR,9R,10aR)-1-hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8297
Patents

404.2563 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26358 200.7
[M+Na]+ 427.24552 204.9
[M-H]- 403.24902 202.5
[M+NH4]+ 422.29012 213.4
[M+K]+ 443.21946 202.4
[M+H-H2O]+ 387.25356 194.4
[M+HCOO]- 449.25450 208.2
[M+CH3COO]- 463.27015 224.3
[M+Na-2H]- 425.23097 201.5
[M]+ 404.25575 202.3
[M]- 404.25685 202.3
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

No patent data available for this compound.