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]+ 405.263576 200.7
[M+Na]+ 427.245518 204.9
[M-H]- 403.249024 202.5
[M+NH4]+ 422.290123 213.4
[M+K]+ 443.219458 202.4
[M+H-H2O]+ 387.253560 194.4
[M+HCOO]- 449.254501 208.2
[M+CH3COO]- 463.270151 224.3
[M+Na-2H]- 425.230966 201.5
[M]+ 404.25575142 202.3
[M]- 404.25684858 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.