CID 73118466

Cyclocalopin b

Structural Information

Molecular Formula
C19H26O8
SMILES
CC1COC(=O)C2C1C3(CC=C(C(C3OC(=O)C)OC(=O)C)C)C(O2)(C)O
InChI
InChI=1S/C19H26O8/c1-9-6-7-19(16(26-12(4)21)14(9)25-11(3)20)13-10(2)8-24-17(22)15(13)27-18(19,5)23/h6,10,13-16,23H,7-8H2,1-5H3
InChIKey
OAMXBKFTDLDKCN-UHFFFAOYSA-N
Compound name
(6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

382.16278 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17006 181.8
[M+Na]+ 405.15200 188.8
[M-H]- 381.15550 188.0
[M+NH4]+ 400.19660 197.8
[M+K]+ 421.12594 190.1
[M+H-H2O]+ 365.16004 178.4
[M+HCOO]- 427.16098 192.6
[M+CH3COO]- 441.17663 217.7
[M+Na-2H]- 403.13745 182.2
[M]+ 382.16223 185.5
[M]- 382.16333 185.5
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.